data_[Pr4Nd12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3830]
_cell_length_b [7.4102]
_cell_length_c [10.3122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrNd3Ni]
_chemical_formula_sum '[Pr4 Nd12 Ni4]'
_cell_volume [609.5053]
_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  4  0.3160  0.0331  0.7376  1.0
  Nd  Nd1  4  0.0747  0.1323  0.3843  1.0
  Nd  Nd2  4  0.2189  0.5012  0.6212  1.0
  Nd  Nd3  4  0.4387  0.7121  0.9785  1.0
  Ni  Ni4  4  0.0735  0.7433  0.4032  1.0
]