data_[Li8Mn4Tl4I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.8436]
_cell_length_b [12.9251]
_cell_length_c [8.9701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2MnTlI6]
_chemical_formula_sum '[Li8 Mn4 Tl4 I24]'
_cell_volume [1653.9549]
_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  8  0.0727  0.4327  0.1466  1
  Mn  Mn1  4  0.0000  0.1737  0.7500  1
  Tl  Tl2  4  0.0000  0.1656  0.2500  1
  I  I3  8  0.1202  0.0883  0.6658  1
  I  I4  8  0.1206  0.4130  0.4810  1
  I  I5  8  0.1262  0.2428  0.0334  1
]