data_[La8Pr2Y20]
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
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0173]
_cell_length_b [10.0173]
_cell_length_c [10.2860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La4PrY10]
_chemical_formula_sum '[La8 Pr2 Y20]'
_cell_volume [1032.1627]
_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  8  0.0640  0.3281  0.0000  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Y  Y2  16  0.1127  0.2058  0.3358  1
  Y  Y3  4  0.0000  0.5000  0.2500  1
]