data_[Li4Pb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4810]
_cell_length_b [10.0728]
_cell_length_c [4.7271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPbO3]
_chemical_formula_sum '[Li4 Pb4 O12]'
_cell_volume [251.1415]
_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
[
  Li  Li0  4  0.0000  0.3696  0.5000  1
  Pb  Pb1  4  0.0000  0.1554  0.0000  1
  O  O2  8  0.2497  0.2027  0.7157  1
  O  O3  4  0.2443  0.0000  0.2333  1
]