data_[Li4Tl4Fe8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1985]
_cell_length_b [13.4915]
_cell_length_c [7.3883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTl(FeCl3)2]
_chemical_formula_sum '[Li4 Tl4 Fe8 Cl24]'
_cell_volume [1231.1536]
_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  0.2150  0.7500  1
  Tl  Tl1  4  0.0000  0.1158  0.2500  1
  Fe  Fe2  8  0.1891  0.4228  0.1864  1
  Cl  Cl3  8  0.1055  0.2779  0.0576  1
  Cl  Cl4  8  0.1247  0.0901  0.7017  1
  Cl  Cl5  8  0.1428  0.4533  0.4572  1
]