data_[Mn8Tl8Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [10.0495]
_cell_length_b [15.0633]
_cell_length_c [7.7945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [MnTlCl3]
_chemical_formula_sum '[Mn8 Tl8 Cl24]'
_cell_volume [1179.9212]
_cell_formula_units_Z [8]
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  0.2500  0.0969  0.7500  1
  Tl  Tl1  8  0.0000  0.1243  0.2304  1
  Cl  Cl2  8  0.0000  0.0929  0.8243  1
  Cl  Cl3  8  0.2029  0.0000  0.5000  1
  Cl  Cl4  8  0.2500  0.2476  0.2500  1
]