data_[Zr4Pb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2952]
_cell_length_b [8.4293]
_cell_length_c [8.4442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrPbO3]
_chemical_formula_sum '[Zr4 Pb4 O12]'
_cell_volume [305.7186]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  2  0.4497  0.2467  0.7539  1.0
  Zr  Zr1  2  0.4684  0.2533  0.2518  1.0
  Pb  Pb2  1  0.8672  0.5000  0.5137  1.0
  Pb  Pb3  1  0.8736  0.5000  0.9823  1.0
  Pb  Pb4  1  0.8938  0.0000  0.5307  1.0
  Pb  Pb5  1  0.9561  0.0000  0.0576  1.0
  O  O6  2  0.5145  0.2700  0.9971  1.0
  O  O7  2  0.5282  0.2527  0.4979  1.0
  O  O8  2  0.9814  0.2500  0.7433  1.0
  O  O9  2  0.9958  0.2272  0.2401  1.0
  O  O10  1  0.4945  0.0000  0.7281  1.0
  O  O11  1  0.5115  0.0000  0.2263  1.0
  O  O12  1  0.5233  0.5000  0.7382  1.0
  O  O13  1  0.5402  0.5000  0.2550  1.0
]