# generated using pymatgen
data_NaLu(NbS2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84646726
_cell_length_b   5.84646848
_cell_length_c   13.99531473
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000444
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLu(NbS2)6
_chemical_formula_sum   'Na1 Lu1 Nb6 S12'
_cell_volume   414.28615196
_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  0.00000000  0.00000000  0.00000000  1.0
  Lu  Lu1  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.26020639  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.25950430  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.74049570  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.73979361  1.0
  Nb  Nb6  1  0.66666700  0.33333300  0.73979361  1.0
  Nb  Nb7  1  0.66666700  0.33333300  0.26020639  1.0
  S  S8  1  1.00000000  0.66512766  0.62709415  1.0
  S  S9  1  1.00000000  0.66470083  0.85046945  1.0
  S  S10  1  0.00000000  0.33529917  0.14953055  1.0
  S  S11  1  0.00000000  0.33487234  0.37290585  1.0
  S  S12  1  0.33487234  0.33487234  0.62709415  1.0
  S  S13  1  0.33529917  0.33529917  0.85046945  1.0
  S  S14  1  0.66470083  0.66470083  0.14953055  1.0
  S  S15  1  0.66512766  0.66512766  0.37290585  1.0
  S  S16  1  0.33529917  1.00000000  0.14953055  1.0
  S  S17  1  0.33487234  1.00000000  0.37290585  1.0
  S  S18  1  0.66512766  0.00000000  0.62709415  1.0
  S  S19  1  0.66470083  0.00000000  0.85046945  1.0