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 [P1]
_cell_length_a [4.6474]
_cell_length_b [5.9733]
_cell_length_c [6.5282]
_cell_angle_alpha [111.2311]
_cell_angle_beta [90.5210]
_cell_angle_gamma [104.9757]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NiPt]
_chemical_formula_sum '[Ni6 Pt6]'
_cell_volume [162.1210]
_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  0.0006  0.0102  0.0085  1.0
  Ni  Ni1  1  0.1610  0.4945  0.1667  1.0
  Ni  Ni2  1  0.5940  0.2511  0.0863  1.0
  Ni  Ni3  1  0.6687  0.0002  0.6652  1.0
  Ni  Ni4  1  0.7493  0.7530  0.2496  1.0
  Ni  Ni5  1  0.9122  0.2439  0.4088  1.0
  Pt  Pt6  1  0.0729  0.7459  0.5765  1.0
  Pt  Pt7  1  0.2471  0.2451  0.7609  1.0
  Pt  Pt8  1  0.3330  0.9972  0.3290  1.0
  Pt  Pt9  1  0.4315  0.7642  0.9212  1.0
  Pt  Pt10  1  0.4939  0.4967  0.4823  1.0
  Pt  Pt11  1  0.8358  0.4981  0.8450  1.0
]