# generated using pymatgen
data_Nb6CuBiS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86515893
_cell_length_b   5.86515897
_cell_length_c   13.14131108
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999980
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6CuBiS12
_chemical_formula_sum   'Nb6 Cu1 Bi1 S12'
_cell_volume   391.49741721
_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
  Nb  Nb0  1  0.00000000  0.00000000  0.72896404  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.27103596  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.27058089  1.0
  Nb  Nb3  1  0.66666700  0.33333300  0.72941911  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.27058089  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.72941911  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.50000000  1.0
  Bi  Bi7  1  0.00000000  0.00000000  0.00000000  1.0
  S  S8  1  0.33647576  0.00000000  0.15145105  1.0
  S  S9  1  0.00000000  0.33647576  0.15145105  1.0
  S  S10  1  0.66352424  0.66352424  0.15145105  1.0
  S  S11  1  0.33713618  0.33713618  0.61230629  1.0
  S  S12  1  0.66286382  0.66286382  0.38769371  1.0
  S  S13  1  0.66286382  0.00000000  0.61230629  1.0
  S  S14  1  1.00000000  0.66286382  0.61230629  1.0
  S  S15  1  0.00000000  0.66352424  0.84854895  1.0
  S  S16  1  0.33647576  0.33647576  0.84854895  1.0
  S  S17  1  0.00000000  0.33713618  0.38769371  1.0
  S  S18  1  0.33713618  0.00000000  0.38769371  1.0
  S  S19  1  0.66352424  0.00000000  0.84854895  1.0