data_[Ba2Tl2Cd4In2]
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 [Imm2]
_cell_length_a [4.9627]
_cell_length_b [5.0250]
_cell_length_c [12.4853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaTlCd2In]
_chemical_formula_sum '[Ba2 Tl2 Cd4 In2]'
_cell_volume [311.3509]
_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  0.4421  1.0
  Tl  Tl1  2  0.0000  0.0000  0.8296  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0629  1.0
  Cd  Cd3  2  0.0000  0.5000  0.6920  1.0
  In  In4  2  0.0000  0.5000  0.1856  1.0
]