data_[La8Pr20Y12]
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 [C2/c]
_cell_length_a [11.2255]
_cell_length_b [15.0735]
_cell_length_c [10.1216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2Pr5Y3]
_chemical_formula_sum '[La8 Pr20 Y12]'
_cell_volume [1426.4383]
_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  8  0.1538  0.1250  0.5591  1
  Pr  Pr1  8  0.2410  0.3785  0.7436  1
  Pr  Pr2  4  0.0000  0.2247  0.7500  1
  Pr  Pr3  4  0.0000  0.2632  0.2500  1
  Pr  Pr4  4  0.0000  0.4702  0.2500  1
  Y  Y5  8  0.1538  0.3756  0.0504  1
  Y  Y6  4  0.0000  0.0172  0.7500  1
]