data_[Pr20Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.2750]
_cell_length_b [6.5802]
_cell_length_c [7.1092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5Ni2]
_chemical_formula_sum '[Pr20 Ni8]'
_cell_volume [802.5125]
_cell_formula_units_Z [4]
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  8  0.0956  0.1030  0.4237  1
  Pr  Pr1  8  0.2138  0.4293  0.8154  1
  Pr  Pr2  4  0.0000  0.4321  0.7500  1
  Ni  Ni3  8  0.1086  0.3064  0.0730  1
]