data_[Te2Pb6Br4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.6950]
_cell_length_b [5.7086]
_cell_length_c [13.2798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TePb3(BrO2)2]
_chemical_formula_sum '[Te2 Pb6 Br4 O8]'
_cell_volume [431.7255]
_cell_formula_units_Z [2]
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
[
  Te  Te0  2  0.0000  0.0000  0.1874  1.0
  Pb  Pb1  2  0.0000  0.0000  0.8566  1.0
  Pb  Pb2  2  0.5000  0.0000  0.3525  1.0
  Pb  Pb3  2  0.5000  0.0000  0.6478  1.0
  Br  Br4  2  0.0000  0.0000  0.5074  1.0
  Br  Br5  2  0.5000  0.0000  0.9951  1.0
  O  O6  8  0.2316  0.2306  0.2484  1.0
]