# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'PrRu4P12'
_chemical_formula_sum 'P12 Pr Ru4'

loop_
_publ_author_name
 'C. H. Lee'
 'H. Matsuhata'
 'H. Yamaguchi'
 'C. Sekine'
 'K. Kihou'
 'I. Shirotani'
_journal_name_full_name
;
 Journal of Magnetism and Magnetic Materials
;
_journal_volume 272-27
_journal_year 2004
_journal_page_first 426
_journal_page_last 427
_publ_Section_title
;
 A study of the crystal structure at low temperature in the metal--insulator transition compound PrRu$_{4}$P$_{12}$
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'PrRu$_{4}$P$_{12}$ Structure'
_aflow_proto 'A12BC4_cP34_195_2j_ab_2e'
_aflow_params 'a,x_{3},x_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6}'
_aflow_params_values '8.0357772599,0.2493,0.7507,0.14225,0.5,0.35579,0.0002,0.14286,0.35831'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'cP34'

_cell_length_a    8.0357772599
_cell_length_b    8.0357772599
_cell_length_c    8.0357772599
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 2 3"
_symmetry_Int_Tables_number 195
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 y,z,x
6 y,-z,-x
7 -y,z,-x
8 -y,-z,x
9 z,x,y
10 z,-x,-y
11 -z,x,-y
12 -z,-x,y
 
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
Pr1 Pr   1 a 0.00000 0.00000 0.00000 1.00000
Pr2 Pr   1 b 0.50000 0.50000 0.50000 1.00000
Ru1 Ru   4 e 0.24930 0.24930 0.24930 1.00000
Ru2 Ru   4 e 0.75070 0.75070 0.75070 1.00000
P1  P   12 j 0.14225 0.50000 0.35579 1.00000
P2  P   12 j 0.00020 0.14286 0.35831 1.00000
