data_[Hf2Sc2Pb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7443]
_cell_length_b [5.8533]
_cell_length_c [10.0196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HfSc(PbO3)2]
_chemical_formula_sum '[Hf2 Sc2 Pb4 O12]'
_cell_volume [275.8931]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  2  0.5000  0.0000  0.0000  1.0
  Pb  Pb2  4  0.2434  0.0335  0.2500  1.0
  O  O3  4  0.1559  0.2069  0.9558  1.0
  O  O4  4  0.2516  0.7022  0.9569  1.0
  O  O5  4  0.3342  0.0226  0.7477  1.0
]