data_[La20Pr12In4]
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 [9.8976]
_cell_length_b [11.9033]
_cell_length_c [11.8041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5Pr3In]
_chemical_formula_sum '[La20 Pr12 In4]'
_cell_volume [1388.9650]
_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  0.2011  0.2585  0.6860  1
  La  La1  4  0.0000  0.2571  0.0000  1
  La  La2  4  0.0067  0.5000  0.2402  1
  La  La3  4  0.1862  0.5000  0.9898  1
  Pr  Pr4  4  0.1731  0.5000  0.4914  1
  Pr  Pr5  4  0.1786  0.0000  0.7677  1
  Pr  Pr6  2  0.0000  0.0000  0.0000  1
  Pr  Pr7  2  0.0000  0.0000  0.5000  1
  In  In8  4  0.1492  0.0000  0.2553  1
]