data_[Ba4Li4Sc4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7070]
_cell_length_b [10.5414]
_cell_length_c [5.6885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaLiScO3]
_chemical_formula_sum '[Ba4 Li4 Sc4 O12]'
_cell_volume [342.2217]
_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
[
  Ba  Ba0  4  0.0000  0.2137  0.7500  1.0
  Li  Li1  4  0.0000  0.0699  0.2500  1.0
  Sc  Sc2  4  0.0000  0.4481  0.2500  1.0
  O  O3  8  0.2473  0.5000  0.0000  1.0
  O  O4  4  0.0000  0.2590  0.2500  1.0
]