data_[Ba3Ga6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0622]
_cell_length_b [8.0622]
_cell_length_c [25.8911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba(GaI3)2]
_chemical_formula_sum '[Ba3 Ga6 I18]'
_cell_volume [1457.4257]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.3342  1.0
  Ga  Ga1  3  0.0000  0.0000  0.6191  1.0
  Ga  Ga2  3  0.0000  0.0000  0.7138  1.0
  I  I3  9  0.0374  0.3561  0.4198  1.0
  I  I4  9  0.0427  0.6908  0.2464  1.0
]