# generated using pymatgen
data_Nb3(BiSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99522315
_cell_length_b   5.99522380
_cell_length_c   18.26280166
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000744
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3(BiSe3)2
_chemical_formula_sum   'Nb6 Bi4 Se12'
_cell_volume   568.47157532
_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  0.67623788  0.67623788  0.75000000  1.0
  Nb  Nb1  1  0.32376212  0.00000000  0.75000000  1.0
  Nb  Nb2  1  0.00000000  0.32376212  0.75000000  1.0
  Nb  Nb3  1  0.32376212  0.32376212  0.25000000  1.0
  Nb  Nb4  1  0.67623788  1.00000000  0.25000000  1.0
  Nb  Nb5  1  1.00000000  0.67623788  0.25000000  1.0
  Bi  Bi6  1  0.66666700  0.33333300  0.00000000  1.0
  Bi  Bi7  1  0.33333300  0.66666700  0.00000000  1.0
  Bi  Bi8  1  0.33333300  0.66666700  0.50000000  1.0
  Bi  Bi9  1  0.66666700  0.33333300  0.50000000  1.0
  Se  Se10  1  0.00000000  0.00000000  0.84437888  1.0
  Se  Se11  1  0.00000000  0.00000000  0.15562112  1.0
  Se  Se12  1  0.00000000  0.00000000  0.34437888  1.0
  Se  Se13  1  0.00000000  0.00000000  0.65562112  1.0
  Se  Se14  1  0.66666700  0.33333300  0.83976246  1.0
  Se  Se15  1  0.33333300  0.66666700  0.83976246  1.0
  Se  Se16  1  0.33333300  0.66666700  0.16023754  1.0
  Se  Se17  1  0.66666700  0.33333300  0.16023754  1.0
  Se  Se18  1  0.33333300  0.66666700  0.33976246  1.0
  Se  Se19  1  0.66666700  0.33333300  0.33976246  1.0
  Se  Se20  1  0.66666700  0.33333300  0.66023754  1.0
  Se  Se21  1  0.33333300  0.66666700  0.66023754  1.0