data_[Ca2B4Pb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [9.4712]
_cell_length_b [5.4577]
_cell_length_c [6.7877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaB2(PbO3)2]
_chemical_formula_sum '[Ca2 B4 Pb4 O12]'
_cell_volume [298.5620]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.5000  1.0
  B  B1  4  0.0439  0.0000  0.2492  1.0
  Pb  Pb2  4  0.2075  0.5000  0.1684  1.0
  O  O3  8  0.0467  0.2178  0.7871  1.0
  O  O4  4  0.2094  0.0000  0.3277  1.0
]