data_[La4Pr16Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6406]
_cell_length_b [5.1816]
_cell_length_c [8.3044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pr8Sc]
_chemical_formula_sum '[La4 Pr16 Sc2]'
_cell_volume [774.4673]
_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  0.2267  0.0000  0.6371  1.0
  Pr  Pr1  4  0.0446  0.0000  0.7326  1.0
  Pr  Pr2  4  0.0889  0.5000  0.4452  1.0
  Pr  Pr3  4  0.1330  0.0000  0.1749  1.0
  Pr  Pr4  4  0.1782  0.5000  0.9072  1.0
  Sc  Sc5  2  0.0000  0.5000  0.0000  1.0
]