data_[Ca4Sc8Bi6O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [I4/mmm]
_cell_length_a [4.4481]
_cell_length_b [4.4481]
_cell_length_c [25.1270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ca2Sc4Bi3O2]
_chemical_formula_sum '[Ca4 Sc8 Bi6 O4]'
_cell_volume [497.1459]
_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
[
  Ca  Ca0  4  0.0000  0.0000  0.3080  1.0
  Sc  Sc1  8  0.0000  0.5000  0.0828  1.0
  Bi  Bi2  4  0.0000  0.0000  0.1735  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  O  O4  4  0.0000  0.0000  0.4083  1.0
]