data_[Er1Te4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7850]
_cell_length_b [7.8050]
_cell_length_c [8.2045]
_cell_angle_alpha [73.4475]
_cell_angle_beta [81.6841]
_cell_angle_gamma [68.8848]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er(Te2Br3)2]
_chemical_formula_sum '[Er1 Te4 Br6]'
_cell_volume [445.2829]
_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
  Te  Te1  2  0.3271  0.4260  0.4092  1.0
  Te  Te2  2  0.4651  0.3392  0.7251  1.0
  Br  Br3  2  0.2094  0.6195  0.0297  1.0
  Br  Br4  2  0.2115  0.0897  0.7079  1.0
  Br  Br5  2  0.2400  0.0405  0.2015  1.0
]