data_[La4Pr16Sc8]
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 [Cmcm]
_cell_length_a [3.6048]
_cell_length_b [15.4300]
_cell_length_c [17.2110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La(Pr2Sc)2]
_chemical_formula_sum '[La4 Pr16 Sc8]'
_cell_volume [957.3003]
_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  0.4012  0.2500  1
  Pr  Pr1  8  0.0000  0.1718  0.5748  1
  Pr  Pr2  8  0.0000  0.4353  0.5846  1
  Sc  Sc3  4  0.0000  0.0715  0.2500  1
  Sc  Sc4  4  0.0000  0.2740  0.7500  1
]