data_[Ni6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8309]
_cell_length_b [3.5046]
_cell_length_c [8.0838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiPb]
_chemical_formula_sum '[Ni6 Pb6]'
_cell_volume [248.0700]
_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  0.1811  0.5000  0.3865  1
  Ni  Ni1  2  0.2874  0.0000  0.6004  1
  Ni  Ni2  2  0.3685  0.0000  0.3007  1
  Pb  Pb3  2  0.0667  0.0000  0.1426  1
  Pb  Pb4  2  0.2673  0.5000  0.8593  1
  Pb  Pb5  2  0.4957  0.5000  0.5438  1
]