data_[Mn8Tl4Cu4Cl24]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3271]
_cell_length_b [13.4308]
_cell_length_c [7.5074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2TlCuCl6]
_chemical_formula_sum '[Mn8 Tl4 Cu4 Cl24]'
_cell_volume [1244.4689]
_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
[
  Mn  Mn0  8  0.1856  0.4232  0.6762  1.0
  Tl  Tl1  4  0.0000  0.1156  0.7500  1.0
  Cu  Cu2  4  0.0000  0.2181  0.2500  1.0
  Cl  Cl3  8  0.1076  0.2696  0.5442  1.0
  Cl  Cl4  8  0.1238  0.0874  0.2024  1.0
  Cl  Cl5  8  0.1366  0.4421  0.9535  1.0
]