data_[Ba24Tl10Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0013]
_cell_length_b [8.7446]
_cell_length_c [11.5192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba12Tl5Cd2]
_chemical_formula_sum '[Ba24 Tl10 Cd4]'
_cell_volume [1888.3515]
_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  0.1494  0.2493  0.5683  1
  Ba  Ba1  8  0.1848  0.2521  0.1230  1
  Ba  Ba2  4  0.0154  0.5000  0.2856  1
  Ba  Ba3  4  0.0534  0.0000  0.8258  1
  Tl  Tl4  4  0.1592  0.5000  0.8646  1
  Tl  Tl5  4  0.2043  0.5000  0.3608  1
  Tl  Tl6  2  0.0000  0.0000  0.5000  1
  Cd  Cd7  4  0.0000  0.3251  0.0000  1
]