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 [P2_1/m]
_cell_length_a [7.0443]
_cell_length_b [6.2027]
_cell_length_c [8.2533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsVSe3]
_chemical_formula_sum '[Cs2 V2 Se6]'
_cell_volume [340.5898]
_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  0.2903  0.7500  0.6683  1.0
  V  V1  2  0.0752  0.2500  0.9729  1.0
  Se  Se2  4  0.1532  0.0033  0.2213  1.0
  Se  Se3  2  0.3525  0.2500  0.8990  1.0
]