data_In2AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   131.92
_cell_angle_beta   131.92
_cell_angle_gamma   70.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AsPb
_chemical_formula_sum   'In2 As1 Pb1'
_cell_volume   105.92
_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  0.36  0.0  0.37  1.0
  In  In2  1  0.0  0.0  0.74  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.36  0.37  1.0

data_In2AsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.8
_cell_angle_alpha   114.04
_cell_angle_beta   114.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AsPb
_chemical_formula_sum   'In2 As1 Pb1'
_cell_volume   105.92
_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  0.37  0.01  0.01  1.0
  In  In1  1  0.74  0.74  0.74  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.01  0.37  0.01  1.0

In In As Pb