data_[Mg2B2Pb1O6]
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 [P-1]
_cell_length_a [5.1063]
_cell_length_b [5.2179]
_cell_length_c [6.4799]
_cell_angle_alpha [78.2970]
_cell_angle_beta [73.7413]
_cell_angle_gamma [61.3035]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg2B2PbO6]
_chemical_formula_sum '[Mg2 B2 Pb1 O6]'
_cell_volume [144.9100]
_cell_formula_units_Z [1]
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  0.2505  0.1977  0.1467  1.0
  B  B1  2  0.0842  0.1620  0.7687  1.0
  Pb  Pb2  1  0.5000  0.5000  0.5000  1.0
  O  O3  2  0.0791  0.9146  0.7322  1.0
  O  O4  2  0.1541  0.5618  0.2505  1.0
  O  O5  2  0.3445  0.1397  0.8256  1.0
]