data_[Pr16Zn2Ni4]
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 [18.5629]
_cell_length_b [5.3007]
_cell_length_c [6.9384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8ZnNi2]
_chemical_formula_sum '[Pr16 Zn2 Ni4]'
_cell_volume [643.1970]
_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  4  0.0329  0.0000  0.7869  1.0
  Pr  Pr1  4  0.0938  0.5000  0.4787  1.0
  Pr  Pr2  4  0.1795  0.5000  0.0091  1.0
  Pr  Pr3  4  0.1965  0.0000  0.3469  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni5  4  0.1705  0.0000  0.7305  1.0
]