data_[La4Sm4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.2145]
_cell_length_b [6.0302]
_cell_length_c [8.7319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [LaSmO3]
_chemical_formula_sum '[La4 Sm4 O12]'
_cell_volume [327.2245]
_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  4  0.0417  0.4918  0.4835  1
  Sm  Sm1  4  0.0059  1.0000  0.7400  1
  O  O2  4  0.0756  0.1369  0.9933  1
  O  O3  4  0.1618  0.6673  0.1831  1
  O  O4  4  0.2022  0.6919  0.8239  1
]