data_[La36Pr21Sn3]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.6568]
_cell_length_b [12.6568]
_cell_length_c [15.4615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La12Pr7Sn]
_chemical_formula_sum '[La36 Pr21 Sn3]'
_cell_volume [2145.0251]
_cell_formula_units_Z [3]
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  18  0.0284  0.4399  0.7026  1
  La  La1  18  0.0553  0.5869  0.0896  1
  Pr  Pr2  18  0.0487  0.1809  0.8029  1
  Pr  Pr3  3  0.0000  0.0000  0.5000  1
  Sn  Sn4  3  0.0000  0.0000  0.0000  1
]