# generated using pymatgen
data_CaNb6VSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08196083
_cell_length_b   6.08196215
_cell_length_c   13.83412246
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998733
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb6VSe12
_chemical_formula_sum   'Ca1 Nb6 V1 Se12'
_cell_volume   443.16926681
_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
  Ca  Ca0  1  0.33333300  0.66666700  0.25000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.52093422  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.97906578  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.97958220  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.97906042  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.52093958  1.0
  Nb  Nb6  1  0.33333300  0.66666700  0.52041780  1.0
  V  V7  1  0.66666700  0.33333300  0.75000000  1.0
  Se  Se8  1  0.33302939  0.32920247  0.40002889  1.0
  Se  Se9  1  0.67079753  0.00382692  0.40002889  1.0
  Se  Se10  1  0.99617308  0.66697061  0.40002889  1.0
  Se  Se11  1  0.33024880  0.33344464  0.63986828  1.0
  Se  Se12  1  0.00319684  0.66975120  0.63986828  1.0
  Se  Se13  1  0.66655536  0.99680316  0.63986828  1.0
  Se  Se14  1  0.66655536  0.66975120  0.86013172  1.0
  Se  Se15  1  0.33024880  0.99680316  0.86013172  1.0
  Se  Se16  1  0.00319684  0.33344464  0.86013172  1.0
  Se  Se17  1  0.67079753  0.66697061  0.09997111  1.0
  Se  Se18  1  0.99617308  0.32920247  0.09997111  1.0
  Se  Se19  1  0.33302939  0.00382692  0.09997111  1.0