data_InSiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02
_cell_length_b   8.02
_cell_length_c   8.02
_cell_angle_alpha   23.77
_cell_angle_beta   23.77
_cell_angle_gamma   23.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiPt2
_chemical_formula_sum   'In1 Si1 Pt2'
_cell_volume   73.61
_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  0.48  1.0
  Si  Si3  1  0.0  0.0  0.03  1.0
  Pt  Pt1  1  0.0  0.0  0.29  1.0
  Pt  Pt2  1  0.0  0.0  0.62  1.0

data_InSiPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   3.3
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   103.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSiPt2
_chemical_formula_sum   'In2 Si2 Pt4'
_cell_volume   147.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.52  1.0
  Si  Si1  2  0.0  0.0  0.97  1.0
  Pt  Pt2  2  0.0  0.0  0.38  1.0
  Pt  Pt3  2  0.0  0.0  0.71  1.0

In Si Pt Pt
In Si Pt Pt 0 3 o o o 0 2 o o o 1 2 o o o 