data_[Li6Mg3Cd3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4775]
_cell_length_b [7.4775]
_cell_length_c [20.4550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2MgCdI6]
_chemical_formula_sum '[Li6 Mg3 Cd3 I18]'
_cell_volume [990.4786]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0108  1.0
  Li  Li1  3  0.0000  0.0000  0.5055  1.0
  Mg  Mg2  3  0.0000  0.0000  0.8232  1.0
  Cd  Cd3  3  0.0000  0.0000  0.3192  1.0
  I  I4  9  0.0041  0.6824  0.4180  1.0
  I  I5  9  0.0245  0.3519  0.5829  1.0
]