data_[La3Y1Sc4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [Pm]
_cell_length_a [5.6477]
_cell_length_b [8.1162]
_cell_length_c [5.8290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La3YSc4O12]
_chemical_formula_sum '[La3 Y1 Sc4 O12]'
_cell_volume [267.1914]
_cell_formula_units_Z [1]
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
[
  La  La0  1  0.0109  0.0000  0.0493  1.0
  La  La1  1  0.5106  0.5000  0.4563  1.0
  La  La2  1  0.9853  0.5000  0.9498  1.0
  Y  Y3  1  0.4795  0.0000  0.5586  1.0
  Sc  Sc4  2  0.5014  0.2469  0.0021  1.0
  Sc  Sc5  2  0.9975  0.2458  0.5001  1.0
  O  O6  2  0.2072  0.1901  0.7929  1.0
  O  O7  2  0.3062  0.1851  0.3066  1.0
  O  O8  2  0.7034  0.3061  0.7042  1.0
  O  O9  2  0.8051  0.3009  0.1973  1.0
  O  O10  1  0.1002  0.5000  0.5325  1.0
  O  O11  1  0.3982  0.5000  0.0392  1.0
  O  O12  1  0.6039  0.0000  0.9450  1.0
  O  O13  1  0.8698  0.0000  0.4631  1.0
]