data_[Na3La3In6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.5402]
_cell_length_b [8.5402]
_cell_length_c [22.0640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaLa(InI3)2]
_chemical_formula_sum '[Na3 La3 In6 I18]'
_cell_volume [1393.6490]
_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
[
  Na  Na0  3  0.0000  0.0000  0.1818  1.0
  La  La1  3  0.0000  0.0000  0.6766  1.0
  In  In2  3  0.0000  0.0000  0.4775  1.0
  In  In3  3  0.0000  0.0000  0.9823  1.0
  I  I4  9  0.0584  0.3380  0.7532  1.0
  I  I5  9  0.0591  0.7014  0.2535  1.0
]