data_[Pr6V6Ni45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3716]
_cell_length_b [8.3716]
_cell_length_c [12.2845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2V2Ni15]
_chemical_formula_sum '[Pr6 V6 Ni45]'
_cell_volume [745.5921]
_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  0.3442  1.0
  V  V1  6  0.0000  0.0000  0.0895  1.0
  Ni  Ni2  18  0.0000  0.2935  0.0000  1.0
  Ni  Ni3  18  0.0059  0.5029  0.8433  1.0
  Ni  Ni4  9  0.0000  0.5000  0.5000  1.0
]