data_[Er1Tl1Sn2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8112]
_cell_length_b [7.2706]
_cell_length_c [9.2191]
_cell_angle_alpha [86.8808]
_cell_angle_beta [88.4328]
_cell_angle_gamma [88.2152]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ErTl(SnBr4)2]
_chemical_formula_sum '[Er1 Tl1 Sn2 Br8]'
_cell_volume [455.4947]
_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  0.4904  0.4859  0.7501  1.0
  Br  Br3  2  0.2323  0.8356  0.7869  1.0
  Br  Br4  2  0.2324  0.3162  0.9778  1.0
  Br  Br5  2  0.2496  0.8551  0.2172  1.0
  Br  Br6  2  0.2724  0.3664  0.5278  1.0
]