data_NiTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.73
_cell_angle_alpha   105.41
_cell_angle_beta   105.41
_cell_angle_gamma   46.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTePt2
_chemical_formula_sum   'Ni1 Te1 Pt2'
_cell_volume   66.95
_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
  Ni  Ni0  1  0.06  0.0  0.45  1.0
  Te  Te3  1  0.44  0.0  0.37  1.0
  Pt  Pt1  1  0.92  0.0  0.38  1.0
  Pt  Pt2  1  0.86  0.0  0.12  1.0

data_NiTePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.51
_cell_length_c   4.73
_cell_angle_alpha   105.41
_cell_angle_beta   90.0
_cell_angle_gamma   113.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTePt2
_chemical_formula_sum   'Ni1 Te1 Pt2'
_cell_volume   66.95
_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
  Ni  Ni0  1  0.0  0.94  0.55  1.0
  Te  Te1  1  0.0  0.56  0.63  1.0
  Pt  Pt2  1  0.0  0.08  0.62  1.0
  Pt  Pt3  1  0.0  0.14  0.88  1.0

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