# generated using pymatgen
data_Nb6CoCuS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83603749
_cell_length_b   5.83603717
_cell_length_c   12.06567526
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000180
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6CoCuS12
_chemical_formula_sum   'Nb6 Co1 Cu1 S12'
_cell_volume   355.89212553
_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  0.33333300  0.66666700  0.00113255  1.0
  Nb  Nb1  1  0.66666700  0.33333300  0.49591570  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.49886745  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.00309869  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.00408430  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.49690131  1.0
  Co  Co6  1  0.33333300  0.66666700  0.25000000  1.0
  Cu  Cu7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.00061681  0.66670416  0.13190897  1.0
  S  S9  1  0.66781089  0.66948649  0.62657927  1.0
  S  S10  1  0.00061681  0.33391265  0.36809103  1.0
  S  S11  1  0.33329584  0.33391265  0.13190897  1.0
  S  S12  1  0.33051351  0.99832440  0.62657927  1.0
  S  S13  1  0.33051351  0.33218911  0.87342073  1.0
  S  S14  1  0.66608735  0.66670416  0.36809103  1.0
  S  S15  1  0.00167560  0.66948649  0.87342073  1.0
  S  S16  1  0.66781089  0.99832440  0.87342073  1.0
  S  S17  1  0.33329584  0.99938319  0.36809103  1.0
  S  S18  1  0.66608735  0.99938319  0.13190897  1.0
  S  S19  1  0.00167560  0.33218911  0.62657927  1.0