data_[Li4Sm2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3687]
_cell_length_b [5.5044]
_cell_length_c [9.4806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2SmIrO6]
_chemical_formula_sum '[Li4 Sm2 Ir2 O12]'
_cell_volume [232.9731]
_cell_formula_units_Z [2]
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
[
  Li  Li0  4  0.2847  0.0214  0.2600  1.0
  Sm  Sm1  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0400  0.1917  0.9193  1.0
  O  O4  4  0.2549  0.6371  0.9401  1.0
  O  O5  4  0.3465  0.0875  0.7238  1.0
]