# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Ni4 Mo'
 
loop_
_publ_author_name
 'David Harker'
_journal_name_full
;
Journal of Chemical Physics
;
_journal_volume 12
_journal_year 1944
_journal_page_first 315
_journal_page_last 315
_publ_Section_title
;
 The Crystal Structure of Ni$_4$Mo
;

_aflow_proto 'AB4_tI10_87_a_h' 
_aflow_params 'a,c/a,x2,y2' 
_aflow_params_values '5.72,0.623076923077,0.4,0.8' 
_aflow_Strukturbericht 'D1_a' 
_aflow_Pearson 'tI10' 

_symmetry_space_group_name_Hall "-I 4"
_symmetry_space_group_name_H-M "I 4/m"
_symmetry_Int_Tables_number 87

_cell_length_a    5.72000
_cell_length_b    5.72000
_cell_length_c    3.56400
_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 -y,x,z
4 y,-x,z
5 -x,-y,-z
6 x,y,-z
7 y,-x,-z
8 -y,x,-z
9 x+1/2,y+1/2,z+1/2
10 -x+1/2,-y+1/2,z+1/2
11 -y+1/2,x+1/2,z+1/2
12 y+1/2,-x+1/2,z+1/2
13 -x+1/2,-y+1/2,-z+1/2
14 x+1/2,y+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
 
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
Mo1 Mo   2 a 0.00000 0.00000 0.00000 1.00000
Ni1 Ni   8 h 0.40000 0.80000 0.00000 1.00000
