data_[Nb8Co8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.8221]
_cell_length_b [4.9804]
_cell_length_c [9.6417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [NbCo]
_chemical_formula_sum '[Nb8 Co8]'
_cell_volume [231.5538]
_cell_formula_units_Z [8]
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  0.1336  0.5926  0.0120  1.0
  Nb  Nb1  4  0.1425  0.1108  0.8021  1.0
  Co  Co2  4  0.1367  0.3877  0.2733  1.0
  Co  Co3  4  0.1651  0.1110  0.0635  1.0
]