data_[Er1Tl1Cd2Cl8]
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
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5224]
_cell_length_b [6.5379]
_cell_length_c [9.0348]
_cell_angle_alpha [80.6288]
_cell_angle_beta [80.2488]
_cell_angle_gamma [80.6278]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ErTl(CdCl4)2]
_chemical_formula_sum '[Er1 Tl1 Cd2 Cl8]'
_cell_volume [370.9916]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  2  0.4445  0.4494  0.7222  1.0
  Cl  Cl3  2  0.1950  0.7648  0.2136  1.0
  Cl  Cl4  2  0.2495  0.8184  0.7828  1.0
  Cl  Cl5  2  0.2586  0.2765  0.9737  1.0
  Cl  Cl6  2  0.3186  0.3350  0.5017  1.0
]