data_[Pr20In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3727]
_cell_length_b [5.9828]
_cell_length_c [9.3163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5In2]
_chemical_formula_sum '[Pr20 In8]'
_cell_volume [903.9919]
_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  0.1265  0.2084  0.4531  1.0
  Pr  Pr1  8  0.2243  0.3488  0.8205  1.0
  Pr  Pr2  4  0.0000  0.2210  0.7500  1.0
  In  In3  8  0.0808  0.3044  0.0988  1.0
]