data_[Ba4Yb2Sc2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Yb  1.1000  1.7500  1.0840
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.0767]
_cell_length_b [6.0767]
_cell_length_c [8.7004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ba2YbScO6]
_chemical_formula_sum '[Ba4 Yb2 Sc2 O12]'
_cell_volume [321.2676]
_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
[
  Ba  Ba0  4  0.0000  0.5000  0.2500  1
  Yb  Yb1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.1983  0.7190  0.5000  1
  O  O4  4  0.0000  0.0000  0.2593  1
]