data_[Tl12Co4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmc2_1]
_cell_length_a [12.0245]
_cell_length_b [15.4624]
_cell_length_c [7.5949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3CoCl6]
_chemical_formula_sum '[Tl12 Co4 Cl24]'
_cell_volume [1412.0997]
_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
[
  Tl  Tl0  8  0.1969  0.0947  0.5315  1
  Tl  Tl1  4  0.0000  0.3993  0.5614  1
  Co  Co2  4  0.0000  0.1912  0.9685  1
  Cl  Cl3  8  0.1467  0.2514  0.8489  1
  Cl  Cl4  8  0.1599  0.4896  0.2931  1
  Cl  Cl5  4  0.0000  0.0547  0.8843  1
  Cl  Cl6  4  0.0000  0.2034  0.2536  1
]