data_[Ba24Cd8In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4046]
_cell_length_b [12.8544]
_cell_length_c [10.6707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3CdIn]
_chemical_formula_sum '[Ba24 Cd8 In8]'
_cell_volume [1831.8075]
_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
[
  Ba  Ba0  8  0.0574  0.1228  0.0846  1.0
  Ba  Ba1  8  0.0980  0.4033  0.9182  1.0
  Ba  Ba2  8  0.2396  0.1852  0.6735  1.0
  Cd  Cd3  8  0.2041  0.0351  0.3701  1.0
  In  In4  4  0.0000  0.1271  0.7500  1.0
  In  In5  4  0.0000  0.3673  0.2500  1.0
]