data_[Be1Cu1Pb2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1842]
_cell_length_b [5.3176]
_cell_length_c [5.9310]
_cell_angle_alpha [63.4032]
_cell_angle_beta [89.1430]
_cell_angle_gamma [61.5628]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeCu(PbO3)2]
_chemical_formula_sum '[Be1 Cu1 Pb2 O6]'
_cell_volume [124.4073]
_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  1  0.2614  0.4741  0.7784  1
  Cu  Cu1  1  0.8088  0.3791  0.4630  1
  Pb  Pb2  1  0.0185  0.9533  0.0720  1
  Pb  Pb3  1  0.5060  0.9672  0.5519  1
  O  O4  1  0.0873  0.4550  0.2743  1
  O  O5  1  0.2447  0.7736  0.7881  1
  O  O6  1  0.4448  0.8354  0.2656  1
  O  O7  1  0.5736  0.2215  0.7443  1
  O  O8  1  0.7510  0.1622  0.2999  1
  O  O9  1  0.9655  0.4554  0.7473  1
]