data_[La12Pr4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.0622]
_cell_length_b [14.0766]
_cell_length_c [7.3995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La3PrRh2]
_chemical_formula_sum '[La12 Pr4 Rh8]'
_cell_volume [735.5954]
_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
[
  La  La0  8  0.0000  0.2320  0.2500  1.0
  La  La1  4  0.0000  0.5000  0.2500  1.0
  Pr  Pr2  4  0.0000  0.0000  0.0000  1.0
  Rh  Rh3  8  0.2067  0.6384  0.5000  1.0
]