data_[Mg2B4Pb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  B  2.0400  0.8500  0.4100
  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 [9.1664]
_cell_length_b [5.2621]
_cell_length_c [6.3203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgB2(PbO3)2]
_chemical_formula_sum '[Mg2 B4 Pb4 O12]'
_cell_volume [271.1347]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.5000  1
  B  B1  4  0.0647  0.0000  0.2799  1
  Pb  Pb2  4  0.2087  0.5000  0.1895  1
  O  O3  8  0.0205  0.2279  0.7528  1
  O  O4  4  0.2323  0.0000  0.3529  1
]