data_[La20Sm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.5255]
_cell_length_b [10.4076]
_cell_length_c [10.3980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La5Sm3]
_chemical_formula_sum '[La20 Sm12]'
_cell_volume [1139.0564]
_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  0.2526  0.2498  0.4999  1
  La  La1  4  0.0000  0.2468  0.2502  1
  La  La2  4  0.2483  0.0000  0.7496  1
  La  La3  2  0.0000  0.0000  0.0034  1
  La  La4  2  0.5000  0.0000  0.5002  1
  Sm  Sm5  4  0.2556  0.0000  0.2504  1
  Sm  Sm6  4  0.5000  0.2495  0.2495  1
  Sm  Sm7  2  0.0000  0.0000  0.4975  1
  Sm  Sm8  2  0.5000  0.0000  0.0001  1
]