data_[Mn2Tl2Ni2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.4200]
_cell_length_b [10.6909]
_cell_length_c [7.1701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MnTlNiCl6]
_chemical_formula_sum '[Mn2 Tl2 Ni2 Cl12]'
_cell_volume [491.9720]
_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
[
  Mn  Mn0  2  0.0000  0.6647  0.5000  1.0
  Tl  Tl1  2  0.0000  0.0043  0.0000  1.0
  Ni  Ni2  2  0.0000  0.3264  0.5000  1.0
  Cl  Cl3  4  0.1232  0.5030  0.6881  1.0
  Cl  Cl4  4  0.1751  0.1873  0.7035  1.0
  Cl  Cl5  4  0.1819  0.8120  0.6794  1.0
]