data_[Pr8Y20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [15.9717]
_cell_length_b [6.3826]
_cell_length_c [9.3639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2Y5]
_chemical_formula_sum '[Pr8 Y20]'
_cell_volume [950.0301]
_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
[
  Pr  Pr0  8  0.0727  0.3303  0.1080  1.0
  Y  Y1  8  0.1450  0.1654  0.4646  1.0
  Y  Y2  8  0.2142  0.3329  0.8215  1.0
  Y  Y3  4  0.0000  0.1660  0.7500  1.0
]