data_[Sb2Pb2S4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1267]
_cell_length_b [5.3290]
_cell_length_c [8.7027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SbPbS2Br]
_chemical_formula_sum '[Sb2 Pb2 S4 Br2]'
_cell_volume [315.7452]
_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
[
  Sb  Sb0  2  0.3277  0.7500  0.5754  1.0
  Pb  Pb1  2  0.2844  0.7500  0.0615  1.0
  S  S2  2  0.4328  0.2500  0.5864  1.0
  S  S3  2  0.4479  0.2500  0.1501  1.0
  Br  Br4  2  0.0609  0.2500  0.7987  1.0
]