data_[Ce4As4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0155]
_cell_length_b [7.0951]
_cell_length_c [6.8259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeAsIO4]
_chemical_formula_sum '[Ce4 As4 I4 O16]'
_cell_volume [518.0927]
_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
[
  Ce  Ce0  4  0.2346  0.5000  0.8450  1.0
  As  As1  4  0.1337  0.5000  0.2612  1.0
  I  I2  4  0.0115  0.0000  0.7498  1.0
  O  O3  8  0.1920  0.3165  0.1408  1.0
  O  O4  4  0.0248  0.5000  0.7827  1.0
  O  O5  4  0.2003  0.5000  0.5135  1.0
]