data_[Ba2Tl14Cd10]
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 [Imm2]
_cell_length_a [6.1470]
_cell_length_b [10.8111]
_cell_length_c [11.5133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaTl7Cd5]
_chemical_formula_sum '[Ba2 Tl14 Cd10]'
_cell_volume [765.1307]
_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  2  0.0000  0.0000  0.9983  1.0
  Tl  Tl1  4  0.0000  0.2974  0.4994  1.0
  Tl  Tl2  4  0.0000  0.3535  0.9996  1.0
  Tl  Tl3  2  0.0000  0.0000  0.3583  1.0
  Tl  Tl4  2  0.0000  0.0000  0.6424  1.0
  Tl  Tl5  2  0.0000  0.5000  0.7191  1.0
  Cd  Cd6  8  0.2489  0.2569  0.2514  1.0
  Cd  Cd7  2  0.0000  0.5000  0.2785  1.0
]