data_[Pr3Y9Ni24]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1171]
_cell_length_b [5.1171]
_cell_length_c [25.1506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrY3Ni8]
_chemical_formula_sum '[Pr3 Y9 Ni24]'
_cell_volume [570.3285]
_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  3  0.0000  0.0000  0.1248  1.0
  Y  Y1  3  0.0000  0.0000  0.5007  1.0
  Y  Y2  3  0.0000  0.0000  0.6251  1.0
  Y  Y3  3  0.0000  0.0000  0.9995  1.0
  Ni  Ni4  9  0.0026  0.5013  0.5636  1.0
  Ni  Ni5  9  0.1669  0.3338  0.3945  1.0
  Ni  Ni6  3  0.0000  0.0000  0.3124  1.0
  Ni  Ni7  3  0.0000  0.0000  0.8129  1.0
]