data_[Sc8Pb8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmc2_1]
_cell_length_a [3.5301]
_cell_length_b [19.5209]
_cell_length_c [6.4795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sc2Pb2O]
_chemical_formula_sum '[Sc8 Pb8 O4]'
_cell_volume [446.5054]
_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
[
  Sc  Sc0  4  0.0000  0.1250  0.8792  1.0
  Sc  Sc1  4  0.0000  0.4992  0.6272  1.0
  Pb  Pb2  4  0.0000  0.1048  0.3767  1.0
  Pb  Pb3  4  0.0000  0.2567  0.6083  1.0
  O  O4  4  0.0000  0.4312  0.3742  1.0
]