data_[Sc6Os6Pb12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Os  2.2000  1.3000  0.6730
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8236]
_cell_length_b [5.8236]
_cell_length_c [28.6139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [ScOs(PbO3)2]
_chemical_formula_sum '[Sc6 Os6 Pb12 O36]'
_cell_volume [840.4139]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.4049  1.0
  Os  Os1  3  -0.0000  -0.0000  0.5000  1.0
  Os  Os2  3  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  6  0.0000  0.0000  0.1413  1.0
  Pb  Pb4  6  0.0000  0.0000  0.2726  1.0
  O  O5  18  0.0071  0.5035  0.1270  1.0
  O  O6  18  0.0190  0.5095  0.7053  1.0
]