data_[Sc4Bi12O28]
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 [C222_1]
_cell_length_a [7.8511]
_cell_length_b [10.6974]
_cell_length_c [7.6390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [ScBi3O7]
_chemical_formula_sum '[Sc4 Bi12 O28]'
_cell_volume [641.5778]
_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  0.0077  0.0000  0.5000  1
  Bi  Bi1  8  0.2307  0.2330  0.7369  1
  Bi  Bi2  4  0.0407  0.5000  0.5000  1
  O  O3  8  0.1954  0.1384  0.4590  1
  O  O4  8  0.2145  0.1163  0.0480  1
  O  O5  4  0.0000  0.0848  0.7500  1
  O  O6  4  0.0000  0.3517  0.7500  1
  O  O7  4  0.0000  0.3543  0.2500  1
]