data_[La3Zn6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8550]
_cell_length_b [7.8550]
_cell_length_c [24.3873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [La(ZnI3)2]
_chemical_formula_sum '[La3 Zn6 I18]'
_cell_volume [1303.1383]
_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
[
  La  La0  3  0.0000  0.0000  0.3333  1
  Zn  Zn1  3  0.0000  0.0000  0.6144  1
  Zn  Zn2  3  0.0000  0.0000  0.7185  1
  I  I3  9  0.0044  0.3587  0.0821  1
  I  I4  9  0.0049  0.6455  0.9177  1
]