data_[Pr16In24]
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 [Fdd2]
_cell_length_a [11.1667]
_cell_length_b [16.2390]
_cell_length_c [6.4126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Pr2In3]
_chemical_formula_sum '[Pr16 In24]'
_cell_volume [1162.8446]
_cell_formula_units_Z [8]
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  16  0.0733  0.3022  0.2371  1.0
  In  In1  16  0.0670  0.3834  0.7294  1.0
  In  In2  8  0.0000  0.0000  0.5875  1.0
]