data_[La4Pr8Sc8]
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/c]
_cell_length_a [9.8323]
_cell_length_b [11.9577]
_cell_length_c [6.1254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La(PrSc)2]
_chemical_formula_sum '[La4 Pr8 Sc8]'
_cell_volume [641.9681]
_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
[
  La  La0  4  0.0000  0.0552  0.2500  1
  Pr  Pr1  8  0.1537  0.2832  0.6939  1
  Sc  Sc2  8  0.1459  0.4434  0.2033  1
]