# generated using pymatgen
data_LiNb6CoS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82838035
_cell_length_b   5.82838016
_cell_length_c   12.49991177
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000110
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb6CoS12
_chemical_formula_sum   'Li1 Nb6 Co1 S12'
_cell_volume   367.73361470
_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  0.01029133  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.48629548  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.48970867  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.01270138  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.01370452  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.48729862  1.0
  Co  Co7  1  0.33333300  0.66666700  0.25000000  1.0
  S  S8  1  0.00127813  0.66708974  0.13657196  1.0
  S  S9  1  0.66805580  0.66692038  0.61317329  1.0
  S  S10  1  0.00127813  0.33418840  0.36342804  1.0
  S  S11  1  0.33291026  0.33418840  0.13657196  1.0
  S  S12  1  0.33307962  0.00113542  0.61317329  1.0
  S  S13  1  0.33307962  0.33194420  0.88682671  1.0
  S  S14  1  0.66581160  0.66708974  0.36342804  1.0
  S  S15  1  0.99886458  0.66692038  0.88682671  1.0
  S  S16  1  0.66805580  0.00113542  0.88682671  1.0
  S  S17  1  0.33291026  0.99872187  0.36342804  1.0
  S  S18  1  0.66581160  0.99872187  0.13657196  1.0
  S  S19  1  0.99886458  0.33194420  0.61317329  1.0