data_[Li2Tl2Cu2Cl8]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2811]
_cell_length_b [7.2699]
_cell_length_c [8.4984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlCuCl4]
_chemical_formula_sum '[Li2 Tl2 Cu2 Cl8]'
_cell_volume [377.1578]
_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  0.2986  0.2500  0.6654  1.0
  Tl  Tl1  2  0.2442  0.2500  0.0909  1.0
  Cu  Cu2  2  0.2023  0.7500  0.3287  1.0
  Cl  Cl3  4  0.0468  0.0219  0.7293  1.0
  Cl  Cl4  2  0.3874  0.7500  0.1137  1.0
  Cl  Cl5  2  0.4945  0.7500  0.5356  1.0
]