data_Ni2PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   143.15
_cell_angle_beta   131.6
_cell_angle_gamma   62.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PPt
_chemical_formula_sum   'Ni2 P1 Pt1'
_cell_volume   50.23
_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  0.24  1.0
  Ni  Ni1  1  0.53  0.0  0.49  1.0
  P  P2  1  0.0  0.0  0.08  1.0
  Pt  Pt3  1  0.0  0.98  0.76  1.0

data_Ni2PPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.97
_cell_length_c   4.84
_cell_angle_alpha   114.2
_cell_angle_beta   108.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PPt
_chemical_formula_sum   'Ni2 P1 Pt1'
_cell_volume   50.23
_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  0.04  0.51  0.04  1.0
  Ni  Ni1  1  0.76  0.76  0.76  1.0
  P  P2  1  0.92  0.92  0.92  1.0
  Pt  Pt3  1  0.24  0.23  0.23  1.0

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