data_[Ba4Tl14Cd4In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1672]
_cell_length_b [7.5108]
_cell_length_c [13.2075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Tl7Cd2In]
_chemical_formula_sum '[Ba4 Tl14 Cd4 In2]'
_cell_volume [808.2509]
_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  4  0.0413  0.0000  0.3196  1.0
  Tl  Tl1  8  0.2348  0.2468  0.8574  1.0
  Tl  Tl2  4  0.1788  0.5000  0.4671  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd4  4  0.0235  0.5000  0.2594  1.0
  In  In5  2  0.0000  0.0000  0.0000  1.0
]