data_[Cs4Er2Tl2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.9212]
_cell_length_b [8.1743]
_cell_length_c [13.8418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2ErTlCl6]
_chemical_formula_sum '[Cs4 Er2 Tl2 Cl12]'
_cell_volume [734.7450]
_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
[
  Cs  Cs0  4  0.2345  0.5547  0.7493  1.0
  Er  Er1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1380  0.7334  0.4593  1.0
  Cl  Cl4  4  0.2316  0.1819  0.4623  1.0
  Cl  Cl5  4  0.3013  0.5190  0.2253  1.0
]