data_[V2Ge2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3716]
_cell_length_b [6.3712]
_cell_length_c [7.8415]
_cell_angle_alpha [66.7146]
_cell_angle_beta [66.5481]
_cell_angle_gamma [61.1498]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VGeSe3]
_chemical_formula_sum '[V2 Ge2 Se6]'
_cell_volume [247.4646]
_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
[
  V  V0  2  0.3466  0.3442  0.9994  1.0
  Ge  Ge1  2  0.0615  0.0508  0.8293  1.0
  Se  Se2  2  0.0766  0.7041  0.7694  1.0
  Se  Se3  2  0.2801  0.5588  0.2438  1.0
  Se  Se4  2  0.4484  0.0751  0.7676  1.0
]