data_[Li4Pr4Ni20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9901]
_cell_length_b [4.9202]
_cell_length_c [10.1624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiPrNi5]
_chemical_formula_sum '[Li4 Pr4 Ni20]'
_cell_volume [399.5116]
_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
[
  Li  Li0  4  0.1362  0.7500  0.8541  1
  Pr  Pr1  4  0.2399  0.2500  0.0592  1
  Ni  Ni2  8  0.0712  0.0010  0.3152  1
  Ni  Ni3  4  0.0629  0.7500  0.1100  1
  Ni  Ni4  4  0.0949  0.2500  0.5179  1
  Ni  Ni5  4  0.1809  0.2500  0.7492  1
]