data_InPt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPt2Pb
_chemical_formula_sum   'In1 Pt2 Pb1'
_cell_volume   85.44
_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  0.0  0.35  1.0
  Pt  Pt2  1  0.0  0.0  0.38  1.0
  Pt  Pt3  1  0.33  0.0  0.77  1.0
  Pb  Pb1  1  0.33  0.0  0.49  1.0

data_InPt2Pb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InPt2Pb
_chemical_formula_sum   'In1 Pt2 Pb1'
_cell_volume   85.49
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.35  1.0
  Pt  Pt1  1  0.0  0.0  0.38  1.0
  Pt  Pt2  1  0.33  0.0  0.77  1.0
  Pb  Pb3  1  0.33  0.0  0.49  1.0

In Pt Pt Pb
In Pt Pt Pb 0 1 o o o 0 3 o o o 1 3 o o o 2 3 o o o 