data_[Ba4Sc2Ti4Bi2O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.7768]
_cell_length_b [17.0625]
_cell_length_c [4.0434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba2ScTi2BiO9]
_chemical_formula_sum '[Ba4 Sc2 Ti4 Bi2 O18]'
_cell_volume [398.5489]
_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  0.3334  0.0000  1.0
  Sc  Sc1  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti2  4  0.0000  0.1659  0.5000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2287  0.0828  0.5000  1.0
  O  O5  4  0.0000  0.1636  0.0000  1.0
  O  O6  4  0.2500  0.2500  0.5000  1.0
  O  O7  2  0.0000  0.5000  0.0000  1.0
]