data_[Tl2Co2Cl6]
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 [P1]
_cell_length_a [6.2515]
_cell_length_b [6.5480]
_cell_length_c [8.2368]
_cell_angle_alpha [67.7916]
_cell_angle_beta [88.2302]
_cell_angle_gamma [84.1586]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlCoCl3]
_chemical_formula_sum '[Tl2 Co2 Cl6]'
_cell_volume [310.5265]
_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
[
  Tl  Tl0  1  0.3082  0.3972  0.0558  1
  Tl  Tl1  1  0.8127  0.1524  0.5590  1
  Co  Co2  1  0.2769  0.6678  0.4515  1
  Co  Co3  1  0.7739  0.8054  0.1636  1
  Cl  Cl4  1  0.1140  0.8877  0.1929  1
  Cl  Cl5  1  0.1289  0.7138  0.6847  1
  Cl  Cl6  1  0.2935  0.3160  0.4758  1
  Cl  Cl7  1  0.6168  0.7769  0.4229  1
  Cl  Cl8  1  0.6201  0.0743  0.9318  1
  Cl  Cl9  1  0.7899  0.4773  0.1383  1
]