data_[Li2Tl2Fe2Cl8]
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 [P2_1/m]
_cell_length_a [6.3454]
_cell_length_b [7.0898]
_cell_length_c [8.6484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlFeCl4]
_chemical_formula_sum '[Li2 Tl2 Fe2 Cl8]'
_cell_volume [376.9712]
_cell_formula_units_Z [2]
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  2  0.1332  0.2500  0.4977  1.0
  Tl  Tl1  2  0.2380  0.2500  0.0575  1.0
  Fe  Fe2  2  0.2453  0.7500  0.3192  1.0
  Cl  Cl3  4  0.0179  0.0106  0.7005  1.0
  Cl  Cl4  2  0.3353  0.7500  0.0824  1.0
  Cl  Cl5  2  0.4933  0.2500  0.4512  1.0
]