data_[Ba4Tl4Se4Cl4]
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
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8524]
_cell_length_b [7.8524]
_cell_length_c [7.8524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [BaTlSeCl]
_chemical_formula_sum '[Ba4 Tl4 Se4 Cl4]'
_cell_volume [484.1750]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.0000  0.5000  1
  Se  Se2  4  0.2500  0.2500  0.2500  1
  Cl  Cl3  4  0.2500  0.2500  0.7500  1
]