data_[Sc8Nb8Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2477]
_cell_length_b [4.1525]
_cell_length_c [9.9482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScNbCo]
_chemical_formula_sum '[Sc8 Nb8 Co8]'
_cell_volume [419.9017]
_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
[
  Sc  Sc0  4  0.0838  0.0000  0.6506  1.0
  Sc  Sc1  4  0.0852  0.5000  0.1643  1.0
  Nb  Nb2  4  0.1390  0.0000  0.9584  1.0
  Nb  Nb3  4  0.2148  0.0000  0.3815  1.0
  Co  Co4  4  0.1001  0.5000  0.4442  1.0
  Co  Co5  4  0.1945  0.5000  0.8438  1.0
]