data_InPb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   3.65
_cell_angle_alpha   95.68
_cell_angle_beta   95.68
_cell_angle_gamma   103.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPb2Se
_chemical_formula_sum   'In1 Pb2 Se1'
_cell_volume   114.16
_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  0.53  0.0  0.0  1.0
  Pb  Pb1  1  0.47  0.76  0.8  1.0
  Pb  Pb2  1  0.47  0.24  0.8  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_InPb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   103.54
_cell_angle_beta   95.68
_cell_angle_gamma   95.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPb2Se
_chemical_formula_sum   'In1 Pb2 Se1'
_cell_volume   114.16
_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  -0.0  0.53  0.0  1.0
  Pb  Pb1  1  0.8  0.47  0.24  1.0
  Pb  Pb2  1  0.8  0.47  0.76  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

In Pb Pb Se