data_[Er1Tl1Sn2Cl8]
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
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4577]
_cell_length_b [6.8940]
_cell_length_c [8.9852]
_cell_angle_alpha [86.4749]
_cell_angle_beta [88.6049]
_cell_angle_gamma [87.9434]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ErTl(SnCl4)2]
_chemical_formula_sum '[Er1 Tl1 Sn2 Cl8]'
_cell_volume [398.9021]
_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
  Sn  Sn2  2  0.4924  0.4830  0.7516  1.0
  Cl  Cl3  2  0.2161  0.8232  0.7941  1.0
  Cl  Cl4  2  0.2347  0.3102  0.9631  1.0
  Cl  Cl5  2  0.2522  0.8631  0.2121  1.0
  Cl  Cl6  2  0.2793  0.3654  0.5389  1.0
]