data_[Be2B2Pb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  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 [4.7431]
_cell_length_b [4.7449]
_cell_length_c [6.2893]
_cell_angle_alpha [83.5607]
_cell_angle_beta [73.7113]
_cell_angle_gamma [61.5492]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Be2B2PbO6]
_chemical_formula_sum '[Be2 B2 Pb1 O6]'
_cell_volume [119.4170]
_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
[
  Be  Be0  2  0.4204  0.8519  0.1405  1.0
  B  B1  2  0.2569  0.7885  0.7936  1.0
  Pb  Pb2  1  0.0000  0.5000  0.5000  1.0
  O  O3  2  0.0287  0.9691  0.2502  1.0
  O  O4  2  0.3484  0.4723  0.7589  1.0
  O  O5  2  0.4828  0.8547  0.8572  1.0
]