data_[Th2Cd8In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7352]
_cell_length_b [5.0562]
_cell_length_c [6.8290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThCd4In]
_chemical_formula_sum '[Th2 Cd8 In2]'
_cell_volume [300.8518]
_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
[
  Th  Th0  2  0.0000  0.0000  0.5000  1
  Cd  Cd1  4  0.1552  0.5000  0.2524  1
  Cd  Cd2  4  0.1775  0.5000  0.7469  1
  In  In3  2  0.0000  0.0000  0.0000  1
]