# generated using pymatgen
data_K2NbV5Se6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23206947
_cell_length_b   9.18103377
_cell_length_c   4.43336850
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.58478079
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NbV5Se6
_chemical_formula_sum   'K2 Nb1 V5 Se6'
_cell_volume   323.49359882
_cell_formula_units_Z   1
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
  K  K0  1  0.33985032  0.65667179  0.25000000  1.0
  K  K1  1  0.66722493  0.34585912  0.75000000  1.0
  Nb  Nb2  1  0.87994025  0.85232490  0.75000000  1.0
  V  V3  1  0.11780635  0.14902558  0.25000000  1.0
  V  V4  1  0.03272338  0.82164435  0.25000000  1.0
  V  V5  1  0.80526218  0.97117415  0.25000000  1.0
  V  V6  1  0.20315610  0.03372406  0.75000000  1.0
  V  V7  1  0.96166852  0.17174728  0.75000000  1.0
  Se  Se8  1  0.34631839  0.06007178  0.25000000  1.0
  Se  Se9  1  0.93705342  0.29594152  0.25000000  1.0
  Se  Se10  1  0.71033406  0.64971888  0.25000000  1.0
  Se  Se11  1  0.27856955  0.33913733  0.75000000  1.0
  Se  Se12  1  0.07466057  0.70630395  0.75000000  1.0
  Se  Se13  1  0.64543096  0.94665531  0.75000000  1.0