# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Nb4CoSi'
_chemical_formula_sum 'Co Nb4 Si'

loop_
_publ_author_name
 'E. I. Gladyshevskii'
 '{Yu}. B. {Kuzḿa}'
_journal_name_full_name
;
 Journal of Structural Chemistry
;
_journal_volume 6
_journal_year 1965
_journal_page_first 60
_journal_page_last 63
_publ_Section_title
;
 The compounds Nb$_{4}$FeSi, Nb$_{4}$CoSi, Nb$_{4}$NiSi and their crystal structures
;

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

_aflow_title 'Nb$_{4}$CoSi Structure'
_aflow_proto 'AB4C_tP12_124_a_m_c'
_aflow_params 'a,c/a,x_{3},y_{3}'
_aflow_params_values '6.1884808485,0.816448537725,0.162,0.662'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP12'

_cell_length_a    6.1884808485
_cell_length_b    6.1884808485
_cell_length_c    5.0525761395
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 4/m 2/c 2/c"
_symmetry_Int_Tables_number 124
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z+1/2
3 -x,y,-z+1/2
4 -x,-y,z
5 -y,-x,-z+1/2
6 -y,x,z
7 y,-x,z
8 y,x,-z+1/2
9 -x,-y,-z
10 -x,y,z+1/2
11 x,-y,z+1/2
12 x,y,-z
13 y,x,z+1/2
14 y,-x,-z
15 -y,x,-z
16 -y,-x,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
Co1 Co   2 a 0.00000 0.00000 0.25000 1.00000
Si1 Si   2 c 0.50000 0.50000 0.25000 1.00000
Nb1 Nb   8 m 0.16200 0.66200 0.00000 1.00000
