data_[Ni4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.4509]
_cell_length_b [5.4509]
_cell_length_c [6.5702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NiPt2]
_chemical_formula_sum '[Ni4 Pt8]'
_cell_volume [169.0638]
_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  3  0.3416  0.1708  0.0038  1.0
  Ni  Ni1  1  0.6667  0.3333  0.3240  1.0
  Pt  Pt2  3  0.1649  0.3298  0.3223  1.0
  Pt  Pt3  3  0.5022  0.0044  0.6719  1.0
  Pt  Pt4  1  0.0000  0.0000  0.6825  1.0
  Pt  Pt5  1  0.3333  0.6667  0.9996  1.0
]