data_[Pr9Y9]
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 [R3m]
_cell_length_a [3.6729]
_cell_length_b [3.6729]
_cell_length_c [52.9152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrY]
_chemical_formula_sum '[Pr9 Y9]'
_cell_volume [618.1966]
_cell_formula_units_Z [9]
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  3  0.0000  0.0000  0.0017  1.0
  Pr  Pr1  3  0.0000  0.0000  0.4995  1.0
  Pr  Pr2  3  0.0000  0.0000  0.6102  1.0
  Y  Y3  3  0.0000  0.0000  0.1107  1.0
  Y  Y4  3  0.0000  0.0000  0.3900  1.0
  Y  Y5  3  0.0000  0.0000  0.8880  1.0
]