data_[Sc4Ga4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3868]
_cell_length_b [7.6093]
_cell_length_c [5.0730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ScGaO3]
_chemical_formula_sum '[Sc4 Ga4 O12]'
_cell_volume [207.9440]
_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
[
  Sc  Sc0  4  0.0689  0.2500  0.9749  1.0
  Ga  Ga1  4  0.0000  0.0000  0.5000  1.0
  O  O2  8  0.1909  0.5725  0.1881  1.0
  O  O3  4  0.0626  0.7500  0.6420  1.0
]