data_[La4C8I4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7044]
_cell_length_b [9.5840]
_cell_length_c [7.9881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaC2IO6]
_chemical_formula_sum '[La4 C8 I4 O24]'
_cell_volume [621.2891]
_cell_formula_units_Z [4]
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  4  0.0000  0.4220  0.2500  1.0
  C  C1  8  0.2443  0.1405  0.2220  1.0
  I  I2  4  0.0000  0.1021  0.7500  1.0
  O  O3  8  0.1289  0.4119  0.6159  1.0
  O  O4  8  0.1520  0.2336  0.2205  1.0
  O  O5  8  0.2263  0.0854  0.0583  1.0
]