# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Zn3P2'
_chemical_formula_sum 'P2 Zn3'

loop_
_publ_author_name
 'M. v. Stackelberg'
 'R. Paulu'
_journal_name_full_name
;
 Zeitschrift f\"{u}r Physikalische Chemie B
;
_journal_volume 28
_journal_year 1935
_journal_page_first 427
_journal_page_last 460
_publ_Section_title
;
 Untersuchungen an den Phosphiden und Arseniden des Zinks und Cadmiums. Das Zn$_{3}$P$_{2}$-Gitter
;

# Found in The American Mineralogist Crystal Structure Database, 2003

_aflow_title 'Zn$_{3}$P$_{2}$ ($D5_{9}$) Structure'
_aflow_proto 'A2B3_tP40_137_cdf_3g'
_aflow_params 'a,c/a,z_{1},z_{2},x_{3},y_{4},z_{4},y_{5},z_{5},y_{6},z_{6}'
_aflow_params_values '8.097,1.41410398913,0.0,0.011,0.511,0.533,0.147,0.467,0.864,0.5,0.603'
_aflow_Strukturbericht '$D5_{9}$'
_aflow_Pearson 'tP40'

_symmetry_space_group_name_H-M "P 42/n 21/m 2/c (origin choice 2)"
_symmetry_Int_Tables_number 137
 
_cell_length_a    8.09700
_cell_length_b    8.09700
_cell_length_c    11.45000
_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+1/2,-y,-z
3 -x,y+1/2,-z
4 -x+1/2,-y+1/2,z
5 -y,-x,-z+1/2
6 -y+1/2,x,z+1/2
7 y,-x+1/2,z+1/2
8 y+1/2,x+1/2,-z+1/2
9 -x,-y,-z
10 -x+1/2,y,z
11 x,-y+1/2,z
12 x+1/2,y+1/2,-z
13 y,x,z+1/2
14 y+1/2,-x,-z+1/2
15 -y,x+1/2,-z+1/2
16 -y+1/2,-x+1/2,z+1/2
 
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
P1  P    4 c 0.75000 0.25000 0.00000 1.00000
P2  P    4 d 0.25000 0.25000 0.01100 1.00000
P3  P    8 f 0.51100 0.48900 0.25000 1.00000
Zn1 Zn   8 g 0.25000 0.53300 0.14700 1.00000
Zn2 Zn   8 g 0.25000 0.46700 0.86400 1.00000
Zn3 Zn   8 g 0.25000 0.50000 0.60300 1.00000
