data_[Cs1Ge2As1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.3132]
_cell_length_b [7.7396]
_cell_length_c [10.9223]
_cell_angle_alpha [92.5167]
_cell_angle_beta [94.6124]
_cell_angle_gamma [97.9405]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsGe2AsI8]
_chemical_formula_sum '[Cs1 Ge2 As1 I8]'
_cell_volume [609.3545]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge1  2  0.4288  0.5624  0.8283  1.0
  As  As2  1  0.0000  0.0000  0.0000  1.0
  I  I3  2  0.2131  0.1840  0.8242  1.0
  I  I4  2  0.2242  0.7140  0.9962  1.0
  I  I5  2  0.2537  0.1619  0.2050  1.0
  I  I6  2  0.2686  0.6081  0.6057  1.0
]