data_[Cs4Li4V8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.0350]
_cell_length_b [4.0350]
_cell_length_c [22.9605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [CsLiV2]
_chemical_formula_sum '[Cs4 Li4 V8]'
_cell_volume [373.8248]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  Li  Li1  4  0.0000  0.0000  0.5000  1
  V  V2  8  0.1115  0.7500  0.6250  1
]