data_NiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   3.87
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   107.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPt2
_chemical_formula_sum   'Ni4 Pt8'
_cell_volume   170.75
_cell_formula_units_Z   4
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  0.63  0.9  0.45  1.0
  Ni  Ni1  1  0.89  0.97  0.9  1.0
  Ni  Ni2  1  0.93  0.9  0.3  1.0
  Ni  Ni3  1  0.19  0.97  0.75  1.0
  Pt  Pt4  1  0.41  0.9  0.28  1.0
  Pt  Pt5  1  0.53  0.97  0.66  1.0
  Pt  Pt6  1  0.7  0.9  0.0  1.0
  Pt  Pt7  1  1.0  0.97  0.33  1.0
  Pt  Pt8  1  0.82  0.9  0.87  1.0
  Pt  Pt9  1  0.11  0.97  0.19  1.0
  Pt  Pt10  1  0.29  0.9  0.54  1.0
  Pt  Pt11  1  0.41  0.97  0.92  1.0

data_NiPt2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.87
_cell_length_b   6.13
_cell_length_c   7.56
_cell_angle_alpha   107.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NiPt2
_chemical_formula_sum   'Ni4 Pt8'
_cell_volume   170.75
_cell_formula_units_Z   4
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  0.03  0.28  0.15  1.0
  Ni  Ni1  2  0.03  0.98  0.3  1.0
  Pt  Pt2  2  0.03  0.09  0.73  1.0
  Pt  Pt3  2  0.03  0.2  0.59  1.0
  Pt  Pt4  2  0.03  0.5  0.32  1.0
  Pt  Pt5  2  0.03  0.62  0.06  1.0

Ni Ni Ni Ni Pt Pt Pt Pt Pt Pt Pt Pt