data_[Ca4Pb2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.9011]
_cell_length_b [9.9076]
_cell_length_c [3.4266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ca2PbO4]
_chemical_formula_sum '[Ca4 Pb2 O8]'
_cell_volume [200.3375]
_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
[
  Ca  Ca0  4  0.0727  0.3179  0.5000  1.0
  Pb  Pb1  2  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.1406  0.7991  0.0000  1.0
  O  O3  4  0.2404  0.0490  0.5000  1.0
]