data_[Ba12Cd10In2]
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 [Immm]
_cell_length_a [6.0205]
_cell_length_b [8.5480]
_cell_length_c [18.0796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba6Cd5In]
_chemical_formula_sum '[Ba12 Cd10 In2]'
_cell_volume [930.4407]
_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
[
  Ba  Ba0  8  0.0000  0.2498  0.1665  1
  Ba  Ba1  4  0.0000  0.2500  0.5000  1
  Cd  Cd2  4  0.0000  0.0000  0.3341  1
  Cd  Cd3  4  0.0000  0.5000  0.3346  1
  Cd  Cd4  2  0.0000  0.5000  0.0000  1
  In  In5  2  0.0000  0.0000  0.0000  1
]