data_[Y12Sc4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.9980]
_cell_length_b [11.0381]
_cell_length_c [5.5808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y3ScO6]
_chemical_formula_sum '[Y12 Sc4 O24]'
_cell_volume [554.2850]
_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
[
  Y  Y0  8  0.1996  0.1126  0.9730  1.0
  Y  Y1  4  0.0000  0.3977  0.9214  1.0
  Sc  Sc2  4  0.0000  0.1621  0.4911  1.0
  O  O3  8  0.1560  0.2521  0.6687  1.0
  O  O4  8  0.1606  0.4858  0.1952  1.0
  O  O5  4  0.0000  0.0184  0.7535  1.0
  O  O6  4  0.0000  0.2222  0.1455  1.0
]