data_NiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   5.39
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPt
_chemical_formula_sum   'Ni6 Pt6'
_cell_volume   160.99
_cell_formula_units_Z   6
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  0.85  0.11  0.04  1.0
  Ni  Ni1  1  0.0  0.0  0.31  1.0
  Ni  Ni2  1  0.0  0.7  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.78  1.0
  Ni  Ni4  1  0.85  0.28  0.04  1.0
  Ni  Ni5  1  0.0  0.0  0.0  1.0
  Pt  Pt6  1  0.85  0.32  0.73  1.0
  Pt  Pt7  1  0.85  0.08  0.36  1.0
  Pt  Pt8  1  0.0  0.7  0.34  1.0
  Pt  Pt9  1  0.85  0.08  0.73  1.0
  Pt  Pt10  1  0.85  0.32  0.36  1.0
  Pt  Pt11  1  0.0  0.7  0.75  1.0

data_NiPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.39
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPt
_chemical_formula_sum   'Ni6 Pt6'
_cell_volume   160.99
_cell_formula_units_Z   6
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
  Ni  Ni1  1  0.0  0.0  0.31  1.0
  Ni  Ni2  1  0.0  0.0  0.78  1.0
  Ni  Ni3  1  0.0  0.7  0.0  1.0
  Ni  Ni4  1  0.85  0.11  0.04  1.0
  Ni  Ni5  1  0.85  0.28  0.04  1.0
  Pt  Pt6  1  0.0  0.7  0.34  1.0
  Pt  Pt7  1  0.0  0.7  0.75  1.0
  Pt  Pt8  1  0.85  0.08  0.36  1.0
  Pt  Pt9  1  0.85  0.08  0.73  1.0
  Pt  Pt10  1  0.85  0.32  0.36  1.0
  Pt  Pt11  1  0.85  0.32  0.73  1.0

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