# generated using pymatgen
data_Nb3CoSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07761913
_cell_length_b   6.07761913
_cell_length_c   12.34613699
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3CoSe6
_chemical_formula_sum   'Nb6 Co2 Se12'
_cell_volume   394.93778305
_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
  Nb  Nb0  1  0.33333300  0.66666700  0.50031700  1
  Nb  Nb1  1  0.33333300  0.66666700  0.99968300  1
  Nb  Nb2  1  0.66666700  0.33333300  0.49968300  1
  Nb  Nb3  1  0.66666700  0.33333300  0.00031700  1
  Nb  Nb4  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb5  1  0.00000000  0.00000000  0.50000000  1
  Co  Co6  1  0.33333300  0.66666700  0.25000000  1
  Co  Co7  1  0.66666700  0.33333300  0.75000000  1
  Se  Se8  1  0.66659700  0.67023100  0.86468600  1
  Se  Se9  1  0.67023100  0.66659700  0.13531400  1
  Se  Se10  1  0.67023100  0.00363400  0.36468600  1
  Se  Se11  1  0.33340300  0.32976900  0.36468600  1
  Se  Se12  1  0.99636600  0.66659700  0.36468600  1
  Se  Se13  1  0.00363400  0.33340300  0.86468600  1
  Se  Se14  1  0.32976900  0.33340300  0.63531400  1
  Se  Se15  1  0.00363400  0.67023100  0.63531400  1
  Se  Se16  1  0.32976900  0.99636600  0.86468600  1
  Se  Se17  1  0.66659700  0.99636600  0.63531400  1
  Se  Se18  1  0.33340300  0.00363400  0.13531400  1
  Se  Se19  1  0.99636600  0.32976900  0.13531400  1
