data_[La20Pr12In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6190]
_cell_length_b [16.3460]
_cell_length_c [6.7170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5Pr3In2]
_chemical_formula_sum '[La20 Pr12 In8]'
_cell_volume [1376.8684]
_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  0.1284  0.3413  0.0950  1.0
  La  La1  8  0.2350  0.4515  0.5434  1.0
  La  La2  4  0.0000  0.4669  0.7500  1.0
  Pr  Pr3  8  0.1153  0.2241  0.5713  1.0
  Pr  Pr4  4  0.0000  0.0251  0.7500  1.0
  In  In5  8  0.1318  0.1430  0.0787  1.0
]