data_[Cs1V1Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6789]
_cell_length_b [7.8131]
_cell_length_c [10.3227]
_cell_angle_alpha [83.6578]
_cell_angle_beta [75.6330]
_cell_angle_gamma [64.1979]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsV(GeI4)2]
_chemical_formula_sum '[Cs1 V1 Ge2 I8]'
_cell_volume [540.1390]
_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
  V  V1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.2075  0.4954  0.1336  1.0
  I  I3  2  0.0802  0.7040  0.8378  1.0
  I  I4  2  0.1622  0.1723  0.7826  1.0
  I  I5  2  0.3009  0.3782  0.3738  1.0
  I  I6  2  0.3670  0.7912  0.0688  1.0
]