data_[Mg8Sc24O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4078]
_cell_length_b [12.9729]
_cell_length_c [5.6472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgSc3O]
_chemical_formula_sum '[Mg8 Sc24 O8]'
_cell_volume [762.4348]
_cell_formula_units_Z [8]
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
[
  Mg  Mg0  8  0.1334  0.4370  0.0848  1.0
  Sc  Sc1  8  0.1153  0.0661  0.5826  1.0
  Sc  Sc2  8  0.1217  0.1854  0.0875  1.0
  Sc  Sc3  8  0.1221  0.3098  0.5786  1.0
  O  O4  4  0.0000  0.0599  0.2500  1.0
  O  O5  4  0.0000  0.1885  0.7500  1.0
]