# generated using pymatgen
data_LiNb7S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81869306
_cell_length_b   5.81869252
_cell_length_c   12.87001593
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000875
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb7S12
_chemical_formula_sum   'Li1 Nb7 S12'
_cell_volume   377.36405910
_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  0.66666700  0.33333300  0.75000000  1.0
  Nb  Nb1  1  0.33333300  0.66666700  0.49696691  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.00553412  1.0
  Nb  Nb3  1  0.66666700  0.33333300  0.49446588  1.0
  Nb  Nb4  1  0.33333300  0.66666700  0.00303309  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.49534971  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.00465029  1.0
  Nb  Nb7  1  0.33333300  0.66666700  0.25000000  1.0
  S  S8  1  0.66734746  0.66713585  0.37242089  1.0
  S  S9  1  0.33286415  0.00021261  0.37242089  1.0
  S  S10  1  0.99978739  0.33265254  0.37242089  1.0
  S  S11  1  0.99938452  0.66741965  0.88292870  1.0
  S  S12  1  0.33258035  0.00061548  0.61707130  1.0
  S  S13  1  0.33258035  0.33196287  0.88292870  1.0
  S  S14  1  0.66803713  0.00061548  0.88292870  1.0
  S  S15  1  0.33286415  0.33265254  0.12757911  1.0
  S  S16  1  0.66734746  0.00021261  0.12757911  1.0
  S  S17  1  0.66803713  0.66741965  0.61707130  1.0
  S  S18  1  0.99938452  0.33196287  0.61707130  1.0
  S  S19  1  0.99978739  0.66713585  0.12757911  1.0