data_NiIr2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   2.69
_cell_angle_alpha   104.47
_cell_angle_beta   104.47
_cell_angle_gamma   120.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiIr2Pt
_chemical_formula_sum   'Ni1 Ir2 Pt1'
_cell_volume   57.58
_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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.33  0.68  0.0  1.0
  Ir  Ir1  1  0.33  0.32  0.0  1.0
  Pt  Pt3  1  0.66  0.0  0.0  1.0

data_NiIr2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.6
_cell_length_c   5.36
_cell_angle_alpha   115.38
_cell_angle_beta   104.47
_cell_angle_gamma   90.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiIr2Pt
_chemical_formula_sum   'Ni1 Ir2 Pt1'
_cell_volume   57.58
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.32  0.32  0.65  1.0
  Ir  Ir2  1  0.68  0.68  0.01  1.0
  Pt  Pt3  1  0.0  0.0  0.66  1.0

Ni Ir Ir Pt
Ni Ir Ir Pt 0 3 - o o 0 2 o o o 1 2 o o o 1 3 o + o 