data_InTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   3.98
_cell_length_c   3.98
_cell_angle_alpha   89.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTePt2
_chemical_formula_sum   'In1 Te1 Pt2'
_cell_volume   83.28
_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  0.53  1.0
  Te  Te3  1  0.63  0.0  0.46  1.0
  Pt  Pt1  1  0.63  0.0  0.4  1.0
  Pt  Pt2  1  0.0  0.0  0.68  1.0

data_InTePt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InTePt2
_chemical_formula_sum   'In1 Te1 Pt2'
_cell_volume   83.28
_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  0.53  0.0  0.0  1.0
  Te  Te1  1  0.46  0.0  0.63  1.0
  Pt  Pt2  1  0.4  0.0  0.63  1.0
  Pt  Pt3  1  0.68  0.0  0.0  1.0

In Te Pt Pt
In Te Pt Pt 0 3 o o o 1 2 o o o 