data_[Ni8Pt16]
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 [C2/m]
_cell_length_a [9.0327]
_cell_length_b [8.1832]
_cell_length_c [4.7214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiPt2]
_chemical_formula_sum '[Ni8 Pt16]'
_cell_volume [344.2704]
_cell_formula_units_Z [8]
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  4  0.0000  0.1611  0.0000  1.0
  Ni  Ni1  4  0.2451  0.0000  0.2490  1.0
  Pt  Pt2  8  0.2497  0.1678  0.7563  1.0
  Pt  Pt3  4  0.0000  0.3323  0.5000  1.0
  Pt  Pt4  2  0.0000  0.0000  0.5000  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]