data_[Nb8Co4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7390]
_cell_length_b [3.6913]
_cell_length_c [9.1418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2CoSi2]
_chemical_formula_sum '[Nb8 Co4 Si8]'
_cell_volume [287.8541]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Nb  Nb0  4  0.0158  0.5000  0.6800  1.0
  Nb  Nb1  4  0.1910  0.5000  0.1045  1.0
  Co  Co2  4  0.2156  0.0000  0.3667  1.0
  Si  Si3  4  0.0186  0.0000  0.8809  1.0
  Si  Si4  4  0.1418  0.0000  0.5669  1.0
]