data_[Ni2Ru4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8894]
_cell_length_b [2.9790]
_cell_length_c [4.8610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiRu2Pb]
_chemical_formula_sum '[Ni2 Ru4 Pb2]'
_cell_volume [126.6919]
_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  0.4952  0.0000  0.4815  1
  Ru  Ru1  2  0.0068  0.0000  0.0513  1
  Ru  Ru2  2  0.2494  0.5000  0.2368  1
  Pb  Pb3  2  0.2486  0.0000  0.7304  1
]