data_[Te4Pb2Br2]
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 [Imm2]
_cell_length_a [4.8197]
_cell_length_b [6.2763]
_cell_length_c [11.5267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Te2PbBr]
_chemical_formula_sum '[Te4 Pb2 Br2]'
_cell_volume [348.6867]
_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  0.1049  1
  Te  Te1  2  0.0000  0.5000  0.7366  1
  Pb  Pb2  2  0.0000  0.5000  0.1546  1
  Br  Br3  2  0.0000  0.0000  0.5038  1
]