data_[La2Sm5Y12]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2451]
_cell_length_b [9.5233]
_cell_length_c [10.8249]
_cell_angle_alpha [79.1531]
_cell_angle_beta [84.3453]
_cell_angle_gamma [89.8470]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2Sm5Y12]
_chemical_formula_sum '[La2 Sm5 Y12]'
_cell_volume [629.1401]
_cell_formula_units_Z [1]
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  2  0.1042  0.9181  0.8688  1
  Sm  Sm1  2  0.4217  0.1869  0.9725  1
  Sm  Sm2  2  0.4746  0.3964  0.6558  1
  Sm  Sm3  1  0.0000  0.5000  0.5000  1
  Y  Y4  2  0.0528  0.7082  0.1859  1
  Y  Y5  2  0.1586  0.1310  0.5516  1
  Y  Y6  2  0.2123  0.3429  0.2387  1
  Y  Y7  2  0.2638  0.5513  0.9210  1
  Y  Y8  2  0.3150  0.7632  0.6041  1
  Y  Y9  2  0.3682  0.9746  0.2906  1
]