data_[Sr4Sm2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [5.8656]
_cell_length_b [5.9552]
_cell_length_c [10.1519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2SmIrO6]
_chemical_formula_sum '[Sr4 Sm2 Ir2 O12]'
_cell_volume [291.4744]
_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
[
  Sr  Sr0  4  0.2388  0.5411  0.7492  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  0.1455  0.7285  0.4554  1.0
  O  O4  4  0.2296  0.1944  0.4587  1.0
  O  O5  4  0.3114  0.5233  0.2310  1.0
]