# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Ca Cu5'
 
loop_
_publ_author_name
 'Werner Haucke'
_journal_name_full
;
Zeitschrift f\"{u}r anorganische und allgemeine Chemie
;
_journal_volume 244
_journal_year 1940
_journal_page_first 17
_journal_page_last 22
_publ_Section_title
;
 Kristallstruktur von CaZn$_5$ und CaCu$_5$
;

# Found in  Pearson's Alloys, pp. 645

_aflow_proto 'AB5_hP6_191_a_cg' 
_aflow_params 'a,c/a' 
_aflow_params_values '5.405,0.773913043478' 
_aflow_Strukturbericht 'D2_d' 
_aflow_Pearson 'hP6' 

_symmetry_space_group_name_Hall "-P 6 2"
_symmetry_space_group_name_H-M "P 6/m m m"
_symmetry_Int_Tables_number 191

_cell_length_a    5.40500
_cell_length_b    5.40500
_cell_length_c    4.18300
_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 x-y,x,z
3 -y,x-y,z
4 -x,-y,z
5 -x+y,-x,z
6 y,-x+y,z
7 x-y,-y,-z
8 x,x-y,-z
9 y,x,-z
10 -x+y,y,-z
11 -x,-x+y,-z
12 -y,-x,-z
13 -x,-y,-z
14 -x+y,-x,-z
15 y,-x+y,-z
16 x,y,-z
17 x-y,x,-z
18 -y,x-y,-z
19 -x+y,y,z
20 -x,-x+y,z
21 -y,-x,z
22 x-y,-y,z
23 x,x-y,z
24 y,x,z
 
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
Ca1 Ca   1 a 0.00000 0.00000 0.00000 1.00000
Cu1 Cu   2 c 0.33333 0.66667 0.00000 1.00000
Cu2 Cu   3 g 0.50000 0.00000 0.50000 1.00000
