data_[Mn2Tl2Pb2Cl12]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.1369]
_cell_length_b [12.2444]
_cell_length_c [6.7333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MnTlPbCl6]
_chemical_formula_sum '[Mn2 Tl2 Pb2 Cl12]'
_cell_volume [588.2058]
_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  0.3354  0.0000  1.0
  Tl  Tl1  2  0.0000  0.9910  0.5000  1.0
  Pb  Pb2  2  0.0000  0.6792  0.0000  1.0
  Cl  Cl3  4  0.1296  0.4678  0.2032  1.0
  Cl  Cl4  4  0.1404  0.2022  0.1987  1.0
  Cl  Cl5  4  0.2005  0.8264  0.2331  1.0
]