data_[Pr6Zn6Ni45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4108]
_cell_length_b [8.4108]
_cell_length_c [12.2748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2Zn2Ni15]
_chemical_formula_sum '[Pr6 Zn6 Ni45]'
_cell_volume [752.0078]
_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  0.3463  1.0
  Zn  Zn1  6  0.0000  0.0000  0.0989  1.0
  Ni  Ni2  18  0.0000  0.2935  0.0000  1.0
  Ni  Ni3  18  0.0031  0.5016  0.8443  1.0
  Ni  Ni4  9  0.0000  0.5000  0.5000  1.0
]