# generated using pymatgen
data_Nb6CoNiS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82358297
_cell_length_b   5.82358283
_cell_length_c   11.97480678
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998916
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6CoNiS12
_chemical_formula_sum   'Nb6 Co1 Ni1 S12'
_cell_volume   351.70595189
_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  0.00040977  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.49959023  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.50141528  1.0
  Nb  Nb3  1  0.66666700  0.33333300  0.00340084  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.49659916  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.99858472  1.0
  Co  Co6  1  0.33333300  0.66666700  0.25000000  1.0
  Ni  Ni7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.33180353  0.99838781  0.13093981  1.0
  S  S9  1  0.00161219  0.33341373  0.13093981  1.0
  S  S10  1  0.66790165  0.00214063  0.63046813  1.0
  S  S11  1  0.99785937  0.33209835  0.86953187  1.0
  S  S12  1  0.66658627  0.66819647  0.13093981  1.0
  S  S13  1  0.99785937  0.66576202  0.63046813  1.0
  S  S14  1  0.33423798  0.00214063  0.86953187  1.0
  S  S15  1  0.00161219  0.66819647  0.36906019  1.0
  S  S16  1  0.33423798  0.33209835  0.63046813  1.0
  S  S17  1  0.66658627  0.99838781  0.36906019  1.0
  S  S18  1  0.66790165  0.66576202  0.86953187  1.0
  S  S19  1  0.33180353  0.33341373  0.36906019  1.0