data_[Sm2Cd4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  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 [5.6873]
_cell_length_b [5.7614]
_cell_length_c [9.9583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmCd2IrO6]
_chemical_formula_sum '[Sm2 Cd4 Ir2 O12]'
_cell_volume [267.7631]
_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
[
  Sm  Sm0  2  0.5000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.2578  0.5400  0.7550  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1156  0.5679  0.2271  1.0
  O  O4  4  0.2285  0.2113  0.0680  1.0
  O  O5  4  0.3455  0.6683  0.0527  1.0
]