data_InAsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAsPb2
_chemical_formula_sum   'In1 As1 Pb2'
_cell_volume   109.8
_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  0.85  0.85  0.7  1.0
  As  As0  1  0.0  0.0  0.15  1.0
  Pb  Pb2  1  0.0  0.0  0.93  1.0
  Pb  Pb3  1  0.85  0.85  0.35  1.0

data_InAsPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InAsPb2
_chemical_formula_sum   'In2 As2 Pb4'
_cell_volume   219.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.35  0.5  0.7  1.0
  As  As1  2  0.0  0.0  0.15  1.0
  Pb  Pb2  2  0.0  0.0  0.93  1.0
  Pb  Pb3  2  0.35  0.5  0.35  1.0

In As Pb Pb