data_InPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   14.03
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPt3
_chemical_formula_sum   'In6 Pt18'
_cell_volume   400.59
_cell_formula_units_Z   6
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  0.89  0.02  0.03  1.0
  In  In1  1  0.89  0.31  0.62  1.0
  In  In2  1  0.89  0.72  0.62  1.0
  In  In3  1  0.0  0.0  0.91  1.0
  In  In4  1  0.0  0.33  0.32  1.0
  In  In5  1  0.0  0.71  0.32  1.0
  Pt  Pt6  1  0.33  0.37  0.08  1.0
  Pt  Pt7  1  0.33  0.66  0.08  1.0
  Pt  Pt8  1  0.31  0.02  0.47  1.0
  Pt  Pt9  1  0.37  0.0  0.47  1.0
  Pt  Pt10  1  0.35  0.38  0.85  1.0
  Pt  Pt11  1  0.35  0.65  0.85  1.0
  Pt  Pt12  1  0.89  0.0  0.84  1.0
  Pt  Pt13  1  0.89  0.33  0.33  1.0
  Pt  Pt14  1  0.89  0.7  0.33  1.0
  Pt  Pt15  1  0.45  0.37  0.08  1.0
  Pt  Pt16  1  0.45  0.66  0.08  1.0
  Pt  Pt17  1  0.48  0.02  0.47  1.0
  Pt  Pt18  1  0.41  0.0  0.47  1.0
  Pt  Pt19  1  0.44  0.38  0.85  1.0
  Pt  Pt20  1  0.44  0.65  0.85  1.0
  Pt  Pt21  1  0.0  0.02  0.09  1.0
  Pt  Pt22  1  0.0  0.32  0.61  1.0
  Pt  Pt23  1  0.0  0.72  0.61  1.0

data_InPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   5.78
_cell_length_c   14.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPt3
_chemical_formula_sum   'In6 Pt18'
_cell_volume   400.59
_cell_formula_units_Z   6
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  0.03  0.89  0.02  1.0
  In  In1  1  0.32  -0.0  0.33  1.0
  In  In2  1  0.32  -0.0  0.71  1.0
  In  In3  1  0.62  0.89  0.31  1.0
  In  In4  1  0.62  0.89  0.72  1.0
  In  In5  1  0.91  0.0  0.0  1.0
  Pt  Pt6  1  0.08  0.33  0.37  1.0
  Pt  Pt7  1  0.08  0.33  0.66  1.0
  Pt  Pt8  1  0.08  0.45  0.37  1.0
  Pt  Pt9  1  0.08  0.45  0.66  1.0
  Pt  Pt10  1  0.09  -0.0  0.02  1.0
  Pt  Pt11  1  0.33  0.89  0.33  1.0
  Pt  Pt12  1  0.33  0.89  0.7  1.0
  Pt  Pt13  1  0.47  0.37  0.0  1.0
  Pt  Pt14  1  0.47  0.41  0.0  1.0
  Pt  Pt15  1  0.47  0.31  0.02  1.0
  Pt  Pt16  1  0.47  0.48  0.02  1.0
  Pt  Pt17  1  0.61  -0.0  0.32  1.0
  Pt  Pt18  1  0.61  -0.0  0.72  1.0
  Pt  Pt19  1  0.84  0.89  0.0  1.0
  Pt  Pt20  1  0.85  0.35  0.38  1.0
  Pt  Pt21  1  0.85  0.35  0.65  1.0
  Pt  Pt22  1  0.85  0.44  0.38  1.0
  Pt  Pt23  1  0.85  0.44  0.65  1.0

In In In In In In Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt