# generated using pymatgen
data_NaNb6NiS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83090909
_cell_length_b   5.83091041
_cell_length_c   13.29538827
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb6NiS12
_chemical_formula_sum   'Na1 Nb6 Ni1 S12'
_cell_volume   391.47524324
_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
  Na  Na0  1  0.33333300  0.66666700  0.25000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.52751969  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.97248031  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.97189797  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.97543356  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.52456644  1.0
  Nb  Nb6  1  0.33333300  0.66666700  0.52810203  1.0
  Ni  Ni7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.33159564  0.33222567  0.40909560  1.0
  S  S9  1  0.66777433  0.99936897  0.40909560  1.0
  S  S10  1  0.00063103  0.66840436  0.40909560  1.0
  S  S11  1  0.33396195  0.33298740  0.64366114  1.0
  S  S12  1  0.99902545  0.66603805  0.64366114  1.0
  S  S13  1  0.66701260  0.00097455  0.64366114  1.0
  S  S14  1  0.66701260  0.66603805  0.85633886  1.0
  S  S15  1  0.33396195  0.00097455  0.85633886  1.0
  S  S16  1  0.99902545  0.33298740  0.85633886  1.0
  S  S17  1  0.66777433  0.66840436  0.09090440  1.0
  S  S18  1  0.00063103  0.33222567  0.09090440  1.0
  S  S19  1  0.33159564  0.99936897  0.09090440  1.0