data_[Sc12Ga8Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1272]
_cell_length_b [4.2357]
_cell_length_c [9.4882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sc3Ga2Co]
_chemical_formula_sum '[Sc12 Ga8 Co4]'
_cell_volume [447.1871]
_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
[
  Sc  Sc0  4  0.0508  0.2500  0.3710  1
  Sc  Sc1  4  0.1310  0.7500  0.9206  1
  Sc  Sc2  4  0.2375  0.2500  0.6956  1
  Ga  Ga3  4  0.0073  0.7500  0.1782  1
  Ga  Ga4  4  0.1884  0.7500  0.4997  1
  Co  Co5  4  0.1159  0.2500  0.1128  1
]