data_[Ba1Zn2Pb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.8797]
_cell_length_b [6.8797]
_cell_length_c [10.2388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaZn2PbBr8]
_chemical_formula_sum '[Ba1 Zn2 Pb1 Br8]'
_cell_volume [419.6839]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  2  0.3333  0.6667  0.2323  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  Br  Br3  6  0.0042  0.3231  0.7059  1.0
  Br  Br4  2  0.3333  0.6667  0.9965  1.0
]