data_[Mn4Tl4Cu8Cl24]
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 [13.9507]
_cell_length_b [11.6594]
_cell_length_c [7.8645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnTl(CuCl3)2]
_chemical_formula_sum '[Mn4 Tl4 Cu8 Cl24]'
_cell_volume [1144.4569]
_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  4  0.0000  0.1825  0.7500  1.0
  Tl  Tl1  4  0.0000  0.1867  0.2500  1.0
  Cu  Cu2  8  0.1974  0.4510  0.1750  1.0
  Cl  Cl3  8  0.1131  0.0672  0.6756  1.0
  Cl  Cl4  8  0.1177  0.2758  0.0200  1.0
  Cl  Cl5  8  0.1605  0.4304  0.4266  1.0
]