data_[Zr3Ti1Pb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8671]
_cell_length_b [5.9083]
_cell_length_c [10.1541]
_cell_angle_alpha [73.3023]
_cell_angle_beta [73.8666]
_cell_angle_gamma [60.7750]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Zr3Ti(PbO3)4]
_chemical_formula_sum '[Zr3 Ti1 Pb4 O12]'
_cell_volume [290.2151]
_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
[
  Zr  Zr0  1  0.1039  0.1589  0.6305  1.0
  Zr  Zr1  1  0.3543  0.4134  0.8834  1.0
  Zr  Zr2  1  0.8462  0.9130  0.3789  1.0
  Ti  Ti3  1  0.5899  0.6704  0.1344  1.0
  Pb  Pb4  1  0.1772  0.3432  0.2538  1.0
  Pb  Pb5  1  0.4431  0.5891  0.5098  1.0
  Pb  Pb6  1  0.6972  0.8288  0.7787  1.0
  Pb  Pb7  1  0.9375  0.0996  0.0197  1.0
  O  O8  1  0.2741  0.7387  0.2620  1.0
  O  O9  1  0.2888  0.2560  0.7368  1.0
  O  O10  1  0.2981  0.7516  0.7428  1.0
  O  O11  1  0.4695  0.0066  0.4801  1.0
  O  O12  1  0.4786  0.9872  0.0028  1.0
  O  O13  1  0.5032  0.4837  0.0243  1.0
  O  O14  1  0.7669  0.2187  0.7780  1.0
  O  O15  1  0.7733  0.7593  0.2281  1.0
  O  O16  1  0.7837  0.2681  0.2454  1.0
  O  O17  1  0.9695  0.5008  0.4855  1.0
  O  O18  1  0.9770  0.5102  0.9921  1.0
  O  O19  1  0.9915  0.9638  0.5250  1.0
]