data_[Th8Sc24In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2860]
_cell_length_b [11.0026]
_cell_length_c [8.2407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Th2Sc6In]
_chemical_formula_sum '[Th8 Sc24 In4]'
_cell_volume [936.9852]
_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
[
  Th  Th0  8  0.1775  0.4110  0.9121  1
  Sc  Sc1  8  0.0257  0.3622  0.4486  1
  Sc  Sc2  8  0.1004  0.0879  0.1891  1
  Sc  Sc3  8  0.2236  0.1698  0.6413  1
  In  In4  4  0.0000  0.1588  0.7500  1
]