data_InAsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   5.27
_cell_angle_alpha   112.37
_cell_angle_beta   112.37
_cell_angle_gamma   36.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAsPb2
_chemical_formula_sum   'In1 As1 Pb2'
_cell_volume   113.39
_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  0.88  0.0  0.41  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.79  0.0  0.8  1.0
  Pb  Pb3  1  0.96  0.0  0.02  1.0

data_InAsPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.27
_cell_length_c   6.25
_cell_angle_alpha   112.37
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAsPb2
_chemical_formula_sum   'In1 As1 Pb2'
_cell_volume   113.39
_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  0.41  0.88  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.02  0.96  1.0
  Pb  Pb3  1  0.0  0.8  0.79  1.0

In As Pb Pb