data_[Co6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.3469]
_cell_length_b [11.8439]
_cell_length_c [6.0195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CoPb]
_chemical_formula_sum '[Co6 Pb6]'
_cell_volume [238.6175]
_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
[
  Co  Co0  4  0.0000  0.1025  0.7201  1
  Co  Co1  2  0.0000  0.5000  0.0205  1
  Pb  Pb2  4  0.0000  0.2158  0.3346  1
  Pb  Pb3  2  0.0000  0.5000  0.5378  1
]