# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Cu3 P'

loop_
_publ_author_name
 'B. Steenberg'
_journal_name_full_name
;
 Arkiv f{\"o}r Kemi, Mineralogi och Geologi
;
_journal_volume A12
_journal_year 1938
_journal_page_first 1
_journal_page_last 15
_publ_Section_title
;
 The Crystal Structure of Cu$_{3}$As and Cu$_{3}$P
;

# Found in A Handbook of Lattice Spacings and Structures of Metals and Alloys, 1958

_aflow_title 'Cu$_{3}$P ($D0_{21}$) Structure'
_aflow_proto 'A3B_hP24_165_bdg_f'
_aflow_params 'a,c/a,z_{2},x_{3},x_{4},y_{4},z_{4}'
_aflow_params_values '7.07,1.00919377652,0.17,0.38,0.69,0.07,0.08'
_aflow_Strukturbericht '$D0_{21}$'
_aflow_Pearson 'hP24'

_symmetry_space_group_name_H-M "P -3 2/c 1"
_symmetry_Int_Tables_number 165
 
_cell_length_a    7.07000
_cell_length_b    7.07000
_cell_length_c    7.13500
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 x-y,-y,-z+1/2
5 y,x,-z+1/2
6 -x,-x+y,-z+1/2
7 -x,-y,-z
8 y,-x+y,-z
9 x-y,x,-z
10 -x+y,y,z+1/2
11 -y,-x,z+1/2
12 x,x-y,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
Cu1 Cu   2 b 0.00000 0.00000 0.00000 1.00000
Cu2 Cu   4 d 0.33333 0.66667 0.17000 1.00000
P1  P    6 f 0.38000 0.00000 0.25000 1.00000
Cu3 Cu  12 g 0.69000 0.07000 0.08000 1.00000
