data_[Ni6Pt6]
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 [Pmc2_1]
_cell_length_a [3.7766]
_cell_length_b [7.9958]
_cell_length_c [5.3703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NiPt]
_chemical_formula_sum '[Ni6 Pt6]'
_cell_volume [162.1649]
_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  2  0.0000  0.3367  0.0018  1.0
  Ni  Ni1  2  0.5000  0.1747  0.2520  1.0
  Ni  Ni2  2  0.5000  0.4946  0.2390  1.0
  Pt  Pt3  2  0.0000  0.0039  0.0090  1.0
  Pt  Pt4  2  0.0000  0.3468  0.4885  1.0
  Pt  Pt5  2  0.5000  0.1796  0.7597  1.0
]