data_[Er1Tl1Ge2Br8]
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
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6388]
_cell_length_b [7.3178]
_cell_length_c [9.3021]
_cell_angle_alpha [85.7771]
_cell_angle_beta [89.5966]
_cell_angle_gamma [85.6294]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ErTl(GeBr4)2]
_chemical_formula_sum '[Er1 Tl1 Ge2 Br8]'
_cell_volume [449.3731]
_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
  Ge  Ge2  2  0.4567  0.4446  0.7624  1.0
  Br  Br3  2  0.2267  0.8219  0.7964  1.0
  Br  Br4  2  0.2291  0.3147  0.9694  1.0
  Br  Br5  2  0.2696  0.3596  0.5530  1.0
  Br  Br6  2  0.2698  0.8630  0.2215  1.0
]