data_[Y2Sc6O12]
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 [P2_1/m]
_cell_length_a [8.7319]
_cell_length_b [3.2103]
_cell_length_c [8.8600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YSc3O6]
_chemical_formula_sum '[Y2 Sc6 O12]'
_cell_volume [236.1038]
_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
[
  Y  Y0  2  0.0565  0.7500  0.6946  1.0
  Sc  Sc1  2  0.1676  0.7500  0.0912  1.0
  Sc  Sc2  2  0.3232  0.2500  0.4913  1.0
  Sc  Sc3  2  0.4518  0.7500  0.8309  1.0
  O  O4  2  0.0755  0.2500  0.9076  1.0
  O  O5  2  0.1176  0.7500  0.4557  1.0
  O  O6  2  0.2056  0.2500  0.2430  1.0
  O  O7  2  0.2780  0.2500  0.7299  1.0
  O  O8  2  0.3978  0.7500  0.0591  1.0
  O  O9  2  0.4644  0.7500  0.6018  1.0
]