data_[Ca8Ni8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9359]
_cell_length_b [5.7237]
_cell_length_c [7.9206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2Ni2Pb]
_chemical_formula_sum '[Ca8 Ni8 Pb4]'
_cell_volume [437.9292]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  8  0.1489  0.3589  0.6485  1.0
  Ni  Ni1  8  0.1457  0.1482  0.9967  1.0
  Pb  Pb2  4  0.0000  0.1385  0.2500  1.0
]