data_[Cs2V2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2601]
_cell_length_b [7.6311]
_cell_length_c [8.2436]
_cell_angle_alpha [63.6475]
_cell_angle_beta [73.1477]
_cell_angle_gamma [72.3903]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsVSe3]
_chemical_formula_sum '[Cs2 V2 Se6]'
_cell_volume [330.7149]
_cell_formula_units_Z [2]
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  2  0.1984  0.6620  0.6524  1.0
  V  V1  2  0.2777  0.9367  0.0035  1.0
  Se  Se2  2  0.0823  0.1610  0.7605  1.0
  Se  Se3  2  0.3248  0.5755  0.0873  1.0
  Se  Se4  2  0.3437  0.0711  0.1898  1.0
]