data_InTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.61
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   91.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTePt2
_chemical_formula_sum   'In1 Te1 Pt2'
_cell_volume   77.58
_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  0.0  1.0
  Te  Te3  1  0.9  0.0  0.28  1.0
  Pt  Pt1  1  0.58  0.81  0.48  1.0
  Pt  Pt2  1  0.5  0.81  0.09  1.0

data_InTePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.61
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   91.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTePt2
_chemical_formula_sum   'In1 Te1 Pt2'
_cell_volume   77.58
_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  0.0  1.0
  Te  Te1  1  0.9  0.0  0.28  1.0
  Pt  Pt2  1  0.5  0.81  0.09  1.0
  Pt  Pt3  1  0.58  0.81  0.48  1.0

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