data_[Ca6Cd3I3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7713]
_cell_length_b [5.7713]
_cell_length_c [14.8156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ca2CdIO6]
_chemical_formula_sum '[Ca6 Cd3 I3 O18]'
_cell_volume [427.3679]
_cell_formula_units_Z [3]
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
[
  Ca  Ca0  3  0.0000  0.0000  0.0290  1.0
  Ca  Ca1  3  0.0000  0.0000  0.5354  1.0
  Cd  Cd2  3  0.0000  0.0000  0.8081  1.0
  I  I3  3  0.0000  0.0000  0.3201  1.0
  O  O4  9  0.0264  0.7423  0.4064  1.0
  O  O5  9  0.0649  0.3444  0.9166  1.0
]