data_[Li2Er2Tl4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2575]
_cell_length_b [7.3831]
_cell_length_c [12.5756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiEr(TlCl3)2]
_chemical_formula_sum '[Li2 Er2 Tl4 Cl12]'
_cell_volume [551.4880]
_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  0.5000  0.0000  0.0000  1.0
  Er  Er1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2623  0.5487  0.7519  1.0
  Cl  Cl3  4  0.1879  0.5099  0.2509  1.0
  Cl  Cl4  4  0.2431  0.2149  0.0320  1.0
  Cl  Cl5  4  0.3187  0.7122  0.0322  1.0
]