data_In2PbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   132.23
_cell_angle_beta   132.23
_cell_angle_gamma   69.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2PbBr
_chemical_formula_sum   'In2 Pb1 Br1'
_cell_volume   118.05
_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
  In  In1  1  0.44  0.0  0.47  1.0
  In  In2  1  0.0  0.0  0.95  1.0
  Pb  Pb3  1  0.0  0.44  0.47  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_In2PbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   6.03
_cell_angle_alpha   113.88
_cell_angle_beta   113.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2PbBr
_chemical_formula_sum   'In2 Pb1 Br1'
_cell_volume   118.05
_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
  In  In0  1  0.47  0.03  0.03  1.0
  In  In1  1  0.95  0.95  0.95  1.0
  Pb  Pb2  1  0.03  0.47  0.03  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

In In Pb Br