data_[Rb1Ge2As1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5026]
_cell_length_b [7.7666]
_cell_length_c [9.9962]
_cell_angle_alpha [77.0295]
_cell_angle_beta [80.7236]
_cell_angle_gamma [77.6959]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbGe2AsI8]
_chemical_formula_sum '[Rb1 Ge2 As1 I8]'
_cell_volume [550.6366]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ge  Ge1  2  0.4423  0.4317  0.7376  1
  As  As2  1  0.0000  0.0000  0.0000  1
  I  I3  2  0.1767  0.7434  0.2232  1
  I  I4  2  0.2319  0.7981  0.8050  1
  I  I5  2  0.2701  0.2281  0.9754  1
  I  I6  2  0.3609  0.2941  0.5286  1
]