data_[Sc24In2Co12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.9905]
_cell_length_b [8.9905]
_cell_length_c [8.9905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Sc12InCo6]
_chemical_formula_sum '[Sc24 In2 Co12]'
_cell_volume [726.7018]
_cell_formula_units_Z [2]
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  24  0.0000  0.1971  0.2965  1
  In  In1  2  0.0000  0.0000  0.0000  1
  Co  Co2  12  0.0000  0.3800  0.5000  1
]