data_[Lu4Sc4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6685]
_cell_length_b [7.9643]
_cell_length_c [5.3661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LuScO3]
_chemical_formula_sum '[Lu4 Sc4 O12]'
_cell_volume [242.2574]
_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
[
  Lu  Lu0  4  0.0625  0.7500  0.9776  1.0
  Sc  Sc1  4  0.0000  0.0000  0.5000  1.0
  O  O2  8  0.1916  0.0745  0.1885  1.0
  O  O3  4  0.0672  0.2500  0.6418  1.0
]