data_[Li4Mn8Tl4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [C2/c]
_cell_length_a [13.3971]
_cell_length_b [13.3298]
_cell_length_c [7.6073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMn2TlCl6]
_chemical_formula_sum '[Li4 Mn8 Tl4 Cl24]'
_cell_volume [1262.2751]
_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
[
  Li  Li0  4  0.0000  0.2042  0.7500  1.0
  Mn  Mn1  8  0.1882  0.4235  0.1818  1.0
  Tl  Tl2  4  0.0000  0.1231  0.2500  1.0
  Cl  Cl3  8  0.1106  0.2717  0.0468  1.0
  Cl  Cl4  8  0.1218  0.0827  0.6925  1.0
  Cl  Cl5  8  0.1384  0.4439  0.4548  1.0
]