# generated using pymatgen
data_Nb3CoSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08156307
_cell_length_b   6.08158214
_cell_length_c   12.59298904
_cell_angle_alpha   90.00076994
_cell_angle_beta   89.99957454
_cell_angle_gamma   120.00027494
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3CoSe6
_chemical_formula_sum   'Nb6 Co2 Se12'
_cell_volume   403.35741538
_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  0.33333219  0.66666608  0.49941379  1.0
  Nb  Nb1  1  0.33333538  0.66666196  0.00058993  1.0
  Nb  Nb2  1  0.66666593  0.33333132  0.50056364  1.0
  Nb  Nb3  1  0.66666823  0.33333442  -0.00056565  1.0
  Nb  Nb4  1  0.00000072  0.00000056  0.99997065  1.0
  Nb  Nb5  1  -0.00000099  -0.00000062  0.50003215  1.0
  Co  Co6  1  0.33333339  0.66666738  0.24994529  1.0
  Co  Co7  1  0.66666567  0.33333136  0.75006016  1.0
  Se  Se8  1  0.66658215  0.66954341  0.86854836  1.0
  Se  Se9  1  0.66949601  0.66662486  0.13143617  1.0
  Se  Se10  1  0.66946964  0.00283255  0.36863536  1.0
  Se  Se11  1  0.33336147  0.33052909  0.36863557  1.0
  Se  Se12  1  0.99716429  0.66663765  0.36863546  1.0
  Se  Se13  1  0.00296220  0.33342089  0.86854858  1.0
  Se  Se14  1  0.33047497  0.33340524  0.63137592  1.0
  Se  Se15  1  0.00293059  0.66952259  0.63137547  1.0
  Se  Se16  1  0.33045652  0.99704282  0.86854827  1.0
  Se  Se17  1  0.66659156  0.99706413  0.63137671  1.0
  Se  Se18  1  0.33337983  0.00287484  0.13143720  1.0
  Se  Se19  1  0.99713024  0.33051048  0.13143598  1.0