# generated using pymatgen
data_Nb4CoSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99423697
_cell_length_b   6.99423697
_cell_length_c   12.41657199
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4CoSe8
_chemical_formula_sum   'Nb8 Co2 Se16'
_cell_volume   526.03304548
_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  0.00000000  0.00000000  0.25000000  1
  Nb  Nb1  1  0.00000000  0.00000000  0.75000000  1
  Nb  Nb2  1  0.50802400  0.01604800  0.25000000  1
  Nb  Nb3  1  0.98395200  0.49197600  0.25000000  1
  Nb  Nb4  1  0.50802400  0.49197600  0.25000000  1
  Nb  Nb5  1  0.49197600  0.98395200  0.75000000  1
  Nb  Nb6  1  0.01604800  0.50802400  0.75000000  1
  Nb  Nb7  1  0.49197600  0.50802400  0.75000000  1
  Co  Co8  1  0.00000000  0.00000000  0.50000000  1
  Co  Co9  1  0.00000000  0.00000000  0.00000000  1
  Se  Se10  1  0.33333300  0.66666700  0.88909400  1
  Se  Se11  1  0.66666700  0.33333300  0.11090600  1
  Se  Se12  1  0.66666700  0.33333300  0.38909400  1
  Se  Se13  1  0.33333300  0.66666700  0.61090600  1
  Se  Se14  1  0.16636500  0.83363500  0.38249300  1
  Se  Se15  1  0.16636500  0.33273000  0.38249300  1
  Se  Se16  1  0.66727000  0.83363500  0.38249300  1
  Se  Se17  1  0.83363500  0.16636500  0.61750700  1
  Se  Se18  1  0.83363500  0.66727000  0.61750700  1
  Se  Se19  1  0.33273000  0.16636500  0.61750700  1
  Se  Se20  1  0.83363500  0.16636500  0.88249300  1
  Se  Se21  1  0.83363500  0.66727000  0.88249300  1
  Se  Se22  1  0.33273000  0.16636500  0.88249300  1
  Se  Se23  1  0.16636500  0.83363500  0.11750700  1
  Se  Se24  1  0.16636500  0.33273000  0.11750700  1
  Se  Se25  1  0.66727000  0.83363500  0.11750700  1
