data_ZnPb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   5.68
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPb2Br
_chemical_formula_sum   'Zn1 Pb2 Br1'
_cell_volume   121.57
_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
  Zn  Zn3  1  0.0  0.0  0.49  1.0
  Pb  Pb1  1  0.0  0.0  0.57  1.0
  Pb  Pb2  1  0.81  0.84  0.93  1.0
  Br  Br0  1  0.81  0.84  0.87  1.0

data_ZnPb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.68
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPb2Br
_chemical_formula_sum   'Zn1 Pb2 Br1'
_cell_volume   121.57
_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
  Zn  Zn0  1  0.0  0.0  0.49  1.0
  Pb  Pb1  1  0.0  0.0  0.57  1.0
  Pb  Pb2  1  0.81  0.84  0.93  1.0
  Br  Br3  1  0.81  0.84  0.87  1.0

Zn Pb Pb Br