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 [Pnc2]
_cell_length_a [20.1731]
_cell_length_b [6.4320]
_cell_length_c [11.9997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Te2Pb3Br2]
_chemical_formula_sum '[Te4 Pb6 Br4]'
_cell_volume [1556.9998]
_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  4  0.4426  0.7495  0.3352  1
  Pb  Pb1  4  0.4081  0.2282  0.8723  1
  Pb  Pb2  2  0.5000  0.0000  0.6359  1
  Br  Br3  4  0.3718  0.2480  0.1277  1
]