data_In2SnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.13
_cell_angle_alpha   102.73
_cell_angle_beta   102.73
_cell_angle_gamma   46.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SnPt
_chemical_formula_sum   'In2 Sn1 Pt1'
_cell_volume   94.38
_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  0.18  0.0  0.78  1.0
  In  In1  1  0.99  0.0  0.17  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.58  0.0  0.97  1.0

data_In2SnPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.69
_cell_length_c   6.13
_cell_angle_alpha   102.73
_cell_angle_beta   90.0
_cell_angle_gamma   113.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SnPt
_chemical_formula_sum   'In2 Sn1 Pt1'
_cell_volume   94.38
_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  0.01  0.83  1.0
  In  In1  1  0.0  0.82  0.22  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.42  0.03  1.0

In In Sn Pt
In In Sn Pt 0 2 o o + 0 3 o o o 1 2 + o o 1 3 o o - 2 3 - o - 