# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'PH3'
_chemical_formula_sum 'H3 P'

loop_
_publ_author_name
 'G. Natta'
 'E. Casazza'
_journal_name_full_name
;
 Gazzetta Chimica Italiana
;
_journal_volume 60
_journal_year 1930
_journal_page_first 851
_journal_page_last 859
_publ_Section_title
;
 La struttura dellídrogeno fosforato (PH$_{3}$) e dellídrogeno arsenicale (AsH$_{3}$)
;

# Found in The American Mineralogist Crystal Structure Database, 2003

_aflow_title 'PH$_{3}$ Structure'
_aflow_proto 'A3B_cP16_208_j_b'
_aflow_params 'a,x_{2}'
_aflow_params_values '6.31,0.184'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'cP16'

_symmetry_space_group_name_H-M "P 42 3 2"
_symmetry_Int_Tables_number 208
 
_cell_length_a    6.31000
_cell_length_b    6.31000
_cell_length_c    6.31000
_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
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
13 -y+1/2,-x+1/2,-z+1/2
14 -y+1/2,x+1/2,z+1/2
15 y+1/2,-x+1/2,z+1/2
16 y+1/2,x+1/2,-z+1/2
17 -x+1/2,-z+1/2,-y+1/2
18 -x+1/2,z+1/2,y+1/2
19 x+1/2,-z+1/2,y+1/2
20 x+1/2,z+1/2,-y+1/2
21 -z+1/2,-y+1/2,-x+1/2
22 -z+1/2,y+1/2,x+1/2
23 z+1/2,-y+1/2,x+1/2
24 z+1/2,y+1/2,-x+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 b 0.25000 0.25000 0.25000 1.00000
H1 H  12 j 0.18400 0.50000 0.00000 1.00000
