data_[Pb4C16O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.9973]
_cell_length_b [4.0098]
_cell_length_c [16.1019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PbC4O5]
_chemical_formula_sum '[Pb4 C16 O20]'
_cell_volume [555.1015]
_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
[
  Pb  Pb0  4  0.1748  0.2388  0.7128  1
  C  C1  4  0.1364  0.0601  0.9179  1
  C  C2  4  0.2857  0.1894  0.9897  1
  C  C3  4  0.4088  0.2078  0.5556  1
  C  C4  4  0.4504  0.5743  0.8641  1
  O  O5  4  0.0681  0.1676  0.8303  1
  O  O6  4  0.0744  0.6558  0.4456  1
  O  O7  4  0.2208  0.7388  0.6483  1
  O  O8  4  0.3189  0.6993  0.8436  1
  O  O9  4  0.4647  0.1672  0.3182  1
]