data_[La4Pr16In2]
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/m]
_cell_length_a [18.7507]
_cell_length_b [5.1303]
_cell_length_c [8.2302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pr8In]
_chemical_formula_sum '[La4 Pr16 In2]'
_cell_volume [766.1490]
_cell_formula_units_Z [2]
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  4  0.2244  0.0000  0.6334  1.0
  Pr  Pr1  4  0.0428  0.0000  0.7286  1.0
  Pr  Pr2  4  0.0887  0.5000  0.4393  1.0
  Pr  Pr3  4  0.1363  0.0000  0.1759  1.0
  Pr  Pr4  4  0.1759  0.5000  0.9072  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]