data_[Nb3Co8Si1]
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 [P3m1]
_cell_length_a [4.7545]
_cell_length_b [4.7545]
_cell_length_c [7.6139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nb3Co8Si]
_chemical_formula_sum '[Nb3 Co8 Si1]'
_cell_volume [149.0567]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.0887  1
  Nb  Nb1  1  0.6667  0.3333  0.5552  1
  Nb  Nb2  1  0.6667  0.3333  0.9290  1
  Co  Co3  3  0.1699  0.3397  0.7451  1
  Co  Co4  3  0.3379  0.1689  0.2480  1
  Co  Co5  1  0.0000  0.0000  0.4949  1
  Co  Co6  1  0.0000  0.0000  0.9927  1
  Si  Si7  1  0.3333  0.6667  0.4600  1
]