# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Cs3 P7'

loop_
_publ_author_name
 'T. Meyer'
 'W. H\"{o}nle'
 'H. G. {von Schnering}'
_journal_name_full_name
;
 Zeitschrift fur Anorganische und Allgemeine Chemie
;
_journal_volume 552
_journal_year 1987
_journal_page_first 69
_journal_page_last 80
_publ_Section_title
;
 Zur Chemie und Strukturchemie von Phosphiden und Polyphosphiden. 44. Tric\"{a}siumheptaphosphid Cs$_{3}$P$_{7}$: Darstellung, Struktur und Eigenschaften
;

# Found in Crystals and Crystal Structures, 2006

_aflow_title 'Cs$_{3}$P$_{7}$ Structure'
_aflow_proto 'A3B7_tP40_76_3a_7a'
_aflow_params 'a,c/a,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8},x_{9},y_{9},z_{9},x_{10},y_{10},z_{10}'
_aflow_params_values '9.046,1.84766747734,0.7435,0.3852,0.0,0.4169,0.733,0.8359,0.026,0.8404,-0.0086,0.79,0.6,0.8105,0.443,0.095,-0.053,0.106,0.473,0.8928,0.357,0.024,0.061,0.629,0.794,0.017,-0.002,0.341,0.7049,0.011,0.29,0.84'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP40'

_symmetry_space_group_name_H-M "P 41"
_symmetry_Int_Tables_number 76
 
_cell_length_a    9.04600
_cell_length_b    9.04600
_cell_length_c    16.71400
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z+1/2
3 -y,x,z+1/4
4 y,-x,z+3/4
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs1 Cs   4 a 0.74350  0.38520 0.00000  1.00000
Cs2 Cs   4 a 0.41690  0.73300 0.83590  1.00000
Cs3 Cs   4 a 0.02600  0.84040 -0.00860 1.00000
P1  P    4 a 0.79000  0.60000 0.81050  1.00000
P2  P    4 a 0.44300  0.09500 -0.05300 1.00000
P3  P    4 a 0.10600  0.47300 0.89280  1.00000
P4  P    4 a 0.35700  0.02400 0.06100  1.00000
P5  P    4 a 0.62900  0.79400 0.01700  1.00000
P6  P    4 a -0.00200 0.34100 0.70490  1.00000
P7  P    4 a 0.01100  0.29000 0.84000  1.00000
