data_NiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   149.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPt
_chemical_formula_sum   'Ni2 Pt2'
_cell_volume   53.93
_cell_formula_units_Z   2
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  0.35  0.74  0.02  1.0
  Ni  Ni1  1  0.35  0.26  0.05  1.0
  Pt  Pt2  1  0.35  0.34  0.02  1.0
  Pt  Pt3  1  0.35  0.66  0.05  1.0

data_NiPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.69
_cell_length_b   4.07
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   105.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NiPt
_chemical_formula_sum   'Ni2 Pt2'
_cell_volume   53.93
_cell_formula_units_Z   2
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
  Ni  Ni0  2  0.26  0.48  0.76  1.0
  Pt  Pt1  2  0.34  0.52  0.84  1.0

Ni Ni Pt Pt
Ni Ni Pt Pt 0 3 o o o 1 2 o o o 