data_[Ba3Tl6Cd1Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.6014]
_cell_length_b [6.6014]
_cell_length_c [11.1545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Tl6CdSn2]
_chemical_formula_sum '[Ba3 Tl6 Cd1 Sn2]'
_cell_volume [420.9732]
_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  0.3333  0.6667  0.5868  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  6  0.1707  0.8293  0.2725  1
  Cd  Cd3  1  0.0000  0.0000  0.5000  1
  Sn  Sn4  2  0.3333  0.6667  0.0293  1
]