data_[La4Pr12Y6Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3714]
_cell_length_b [10.9858]
_cell_length_c [11.9602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pr6Y3Sc]
_chemical_formula_sum '[La4 Pr12 Y6 Sc2]'
_cell_volume [824.8486]
_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
[
  La  La0  4  0.0000  0.3331  0.0000  1.0
  Pr  Pr1  8  0.2468  0.1640  0.2516  1.0
  Pr  Pr2  4  0.2444  0.0000  0.7483  1.0
  Y  Y3  4  0.0000  0.1666  0.5000  1.0
  Y  Y4  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc5  2  0.0000  0.0000  0.0000  1.0
]