data_[Te4Pb8Br4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2693]
_cell_length_b [4.5019]
_cell_length_c [10.3616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TePb2BrCl]
_chemical_formula_sum '[Te4 Pb8 Br4 Cl4]'
_cell_volume [766.2896]
_cell_formula_units_Z [4]
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  0.2091  0.5000  0.6440  1
  Pb  Pb1  4  0.1475  0.5000  0.3256  1
  Pb  Pb2  4  0.1605  0.0000  0.8247  1
  Br  Br3  4  0.0228  0.0000  0.3118  1
  Cl  Cl4  4  0.1625  0.5000  0.0250  1
]