data_In2PbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   134.93
_cell_angle_beta   134.93
_cell_angle_gamma   65.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2PbSe
_chemical_formula_sum   'In2 Pb1 Se1'
_cell_volume   110.58
_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  0.33  0.0  0.55  1.0
  In  In1  1  0.0  0.0  0.1  1.0
  Pb  Pb2  1  0.0  0.33  0.55  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_In2PbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   6.07
_cell_angle_alpha   112.53
_cell_angle_beta   112.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2PbSe
_chemical_formula_sum   'In2 Pb1 Se1'
_cell_volume   110.58
_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  0.1  0.1  0.1  1.0
  In  In1  1  0.55  0.22  0.22  1.0
  Pb  Pb2  1  0.22  0.55  0.22  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

In In Pb Se
In In Pb Se 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 