data_[Ni2Pb10]
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 [P6mm]
_cell_length_a [8.7155]
_cell_length_b [8.7155]
_cell_length_c [17.6697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [NiPb5]
_chemical_formula_sum '[Ni2 Pb10]'
_cell_volume [1162.3596]
_cell_formula_units_Z [2]
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  0.3333  0.6667  0.4522  1
  Pb  Pb1  6  0.2050  0.4100  0.5650  1
  Pb  Pb2  3  0.0000  0.5000  0.4139  1
  Pb  Pb3  1  0.0000  0.0000  0.4638  1
]