data_[Rb2Ga6I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.7104]
_cell_length_b [13.7203]
_cell_length_c [4.8494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [RbGa3I4]
_chemical_formula_sum '[Rb2 Ga6 I8]'
_cell_volume [646.0832]
_cell_formula_units_Z [2]
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
[
  Rb  Rb0  2  0.0000  0.0000  0.5000  1
  Ga  Ga1  4  0.2500  0.2500  0.0000  1
  Ga  Ga2  2  0.0000  0.5000  0.5000  1
  I  I3  4  0.0000  0.2594  0.5000  1
  I  I4  4  0.2302  0.5000  0.0000  1
]