data_[Sc2Bi6O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7452]
_cell_length_b [6.2314]
_cell_length_c [10.1142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sc(BiO2)3]
_chemical_formula_sum '[Sc2 Bi6 O12]'
_cell_volume [300.5301]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  4  0.2681  0.5365  0.2569  1.0
  Bi  Bi2  2  0.5000  0.0000  0.5000  1.0
  O  O3  4  0.0933  0.5601  0.7348  1.0
  O  O4  4  0.2270  0.2004  0.5740  1.0
  O  O5  4  0.3748  0.6647  0.5559  1.0
]