data_[Ba2Tl4Cd1In3]
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 [P-4m2]
_cell_length_a [5.1377]
_cell_length_b [5.1377]
_cell_length_c [12.3467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Tl4CdIn3]
_chemical_formula_sum '[Ba2 Tl4 Cd1 In3]'
_cell_volume [325.9020]
_cell_formula_units_Z [1]
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  0.5000  0.7481  1
  Tl  Tl1  2  0.0000  0.5000  0.3695  1
  Tl  Tl2  1  0.0000  0.0000  0.0000  1
  Tl  Tl3  1  0.5000  0.5000  0.0000  1
  Cd  Cd4  1  0.5000  0.5000  0.5000  1
  In  In5  2  0.0000  0.5000  0.1342  1
  In  In6  1  0.0000  0.0000  0.5000  1
]