data_[La4Pr1Y2Sc1]
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 [P4/mmm]
_cell_length_a [5.1856]
_cell_length_b [5.1856]
_cell_length_c [10.1973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La4PrY2Sc]
_chemical_formula_sum '[La4 Pr1 Y2 Sc1]'
_cell_volume [274.2132]
_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  4  0.0000  0.5000  0.2536  1.0
  Pr  Pr1  1  0.5000  0.5000  0.5000  1.0
  Y  Y2  1  0.0000  0.0000  0.0000  1.0
  Y  Y3  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc4  1  0.0000  0.0000  0.5000  1.0
]