# generated using pymatgen
data_LiPr(NbS2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85393865
_cell_length_b   5.85393870
_cell_length_c   13.65401630
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999971
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPr(NbS2)6
_chemical_formula_sum   'Li1 Pr1 Nb6 S12'
_cell_volume   405.21674799
_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
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1.0
  Pr  Pr1  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.76327796  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.23672204  1.0
  Nb  Nb4  1  0.33333300  0.66666700  0.23497468  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.76502532  1.0
  Nb  Nb6  1  0.66666700  0.33333300  0.23497468  1.0
  Nb  Nb7  1  0.33333300  0.66666700  0.76502532  1.0
  S  S8  1  0.33365430  0.00000000  0.12257879  1.0
  S  S9  1  1.00000000  0.33365430  0.12257879  1.0
  S  S10  1  0.66634570  0.66634570  0.12257879  1.0
  S  S11  1  0.33831614  0.33831614  0.64898604  1.0
  S  S12  1  0.66168386  0.66168386  0.35101396  1.0
  S  S13  1  0.66168386  0.00000000  0.64898604  1.0
  S  S14  1  0.00000000  0.66168386  0.64898604  1.0
  S  S15  1  0.00000000  0.66634570  0.87742121  1.0
  S  S16  1  0.33365430  0.33365430  0.87742121  1.0
  S  S17  1  0.00000000  0.33831614  0.35101396  1.0
  S  S18  1  0.33831614  0.00000000  0.35101396  1.0
  S  S19  1  0.66634570  0.00000000  0.87742121  1.0