data_[Cs12V4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2110]
_cell_length_b [7.2877]
_cell_length_c [11.6499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3VO3]
_chemical_formula_sum '[Cs12 V4 O12]'
_cell_volume [694.5428]
_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  0.0416  0.6213  0.6614  1
  Cs  Cs1  4  0.3398  0.6690  0.4301  1
  Cs  Cs2  4  0.3767  0.1709  0.3099  1
  V  V3  4  0.1518  0.0828  0.5669  1
  O  O4  4  0.0912  0.5524  0.9186  1
  O  O5  4  0.2432  0.1830  0.0436  1
  O  O6  4  0.2742  0.5395  0.1889  1
]