data_[Te4Pb6Br4]
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
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [18.1931]
_cell_length_b [6.1083]
_cell_length_c [15.7793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Te2Pb3Br2]
_chemical_formula_sum '[Te4 Pb6 Br4]'
_cell_volume [1753.5471]
_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  0.5613  0.1348  0.6958  1
  Te  Te1  2  0.5803  0.3603  0.1719  1
  Pb  Pb2  2  0.4099  0.1336  0.7767  1
  Pb  Pb3  2  0.4656  0.3631  0.3075  1
  Pb  Pb4  2  0.4753  0.3930  0.5563  1
  Br  Br5  2  0.4223  0.1428  0.9595  1
  Br  Br6  2  0.5854  0.3489  0.4321  1
]