data_[Pr9Y24]
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 [R-3m]
_cell_length_a [3.6157]
_cell_length_b [3.6157]
_cell_length_c [96.6915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr3Y8]
_chemical_formula_sum '[Pr9 Y24]'
_cell_volume [1094.7457]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2723  1
  Pr  Pr1  3  0.0000  0.0000  0.0000  1
  Y  Y2  6  0.0000  0.0000  0.0918  1
  Y  Y3  6  0.0000  0.0000  0.3638  1
  Y  Y4  6  0.0000  0.0000  0.4550  1
  Y  Y5  6  0.0000  0.0000  0.8183  1
]