data_[Ba2Tl4Co2Cl12]
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
  Co  1.8800  1.3500  0.7683
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3887]
_cell_length_b [7.6726]
_cell_length_c [12.8181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaTl2CoCl6]
_chemical_formula_sum '[Ba2 Tl4 Co2 Cl12]'
_cell_volume [601.5170]
_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  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2234  0.5654  0.7460  1.0
  Co  Co2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1143  0.7295  0.4449  1.0
  Cl  Cl4  4  0.2220  0.1746  0.4505  1.0
  Cl  Cl5  4  0.3198  0.5256  0.2195  1.0
]