data_[La2Ir2S2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.7263]
_cell_length_b [5.7117]
_cell_length_c [4.9640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaIrSO2]
_chemical_formula_sum '[La2 Ir2 S2 O4]'
_cell_volume [160.8138]
_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
[
  La  La0  2  0.4977  0.5000  0.0003  1
  Ir  Ir1  2  0.0442  0.5000  0.3575  1
  S  S2  2  0.4734  0.0000  0.8102  1
  O  O3  4  0.2863  0.2521  0.2812  1
]