data_[Er2Tl2Cu2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [C2]
_cell_length_a [7.0555]
_cell_length_b [11.1158]
_cell_length_c [7.1331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ErTlCuCl6]
_chemical_formula_sum '[Er2 Tl2 Cu2 Cl12]'
_cell_volume [557.1958]
_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
[
  Er  Er0  2  0.0000  0.3198  0.5000  1.0
  Tl  Tl1  2  0.0000  0.9941  0.0000  1.0
  Cu  Cu2  2  0.0000  0.6638  0.5000  1.0
  Cl  Cl3  4  0.1156  0.5142  0.7051  1.0
  Cl  Cl4  4  0.1764  0.1882  0.7519  1.0
  Cl  Cl5  4  0.1774  0.8085  0.6734  1.0
]