data_[Pr2Zn18Ni6]
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 [C2/m]
_cell_length_a [5.0155]
_cell_length_b [12.6148]
_cell_length_c [6.6608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr(Zn3Ni)3]
_chemical_formula_sum '[Pr2 Zn18 Ni6]'
_cell_volume [390.7711]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  8  0.1135  0.3847  0.2209  1
  Zn  Zn2  8  0.1590  0.1770  0.3402  1
  Zn  Zn3  2  0.0000  0.5000  0.5000  1
  Ni  Ni4  4  0.2500  0.2500  0.0000  1
  Ni  Ni5  2  0.0000  0.0000  0.5000  1
]