# generated using pymatgen
data_Li3NbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09484700
_cell_length_b   11.24561700
_cell_length_c   12.52553000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NbS4
_chemical_formula_sum   'Li24 Nb8 S32'
_cell_volume   1421.93302460
_cell_formula_units_Z   8
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  0.12530200  0.04512000  0.10731400  1
  Li  Li1  1  0.37469800  0.04512000  0.60731400  1
  Li  Li2  1  0.50340800  0.12875100  0.10117900  1
  Li  Li3  1  0.99659200  0.12875100  0.60117900  1
  Li  Li4  1  0.20150400  0.16935400  0.86442000  1
  Li  Li5  1  0.29849600  0.16935400  0.36442000  1
  Li  Li6  1  0.70150400  0.33064600  0.86442000  1
  Li  Li7  1  0.79849600  0.33064600  0.36442000  1
  Li  Li8  1  0.49659200  0.37124900  0.60117900  1
  Li  Li9  1  0.00340800  0.37124900  0.10117900  1
  Li  Li10  1  0.62530200  0.45488000  0.10731400  1
  Li  Li11  1  0.87469800  0.45488000  0.60731400  1
  Li  Li12  1  0.12530200  0.54512000  0.39268600  1
  Li  Li13  1  0.37469800  0.54512000  0.89268600  1
  Li  Li14  1  0.99659200  0.62875100  0.89882100  1
  Li  Li15  1  0.50340800  0.62875100  0.39882100  1
  Li  Li16  1  0.29849600  0.66935400  0.13558000  1
  Li  Li17  1  0.20150400  0.66935400  0.63558000  1
  Li  Li18  1  0.70150400  0.83064600  0.63558000  1
  Li  Li19  1  0.79849600  0.83064600  0.13558000  1
  Li  Li20  1  0.49659200  0.87124900  0.89882100  1
  Li  Li21  1  0.00340800  0.87124900  0.39882100  1
  Li  Li22  1  0.87469800  0.95488000  0.89268600  1
  Li  Li23  1  0.62530200  0.95488000  0.39268600  1
  Nb  Nb24  1  0.82015200  0.10443500  0.11716600  1
  Nb  Nb25  1  0.67984800  0.10443500  0.61716600  1
  Nb  Nb26  1  0.32015200  0.39556500  0.11716600  1
  Nb  Nb27  1  0.17984800  0.39556500  0.61716600  1
  Nb  Nb28  1  0.67984800  0.60443500  0.88283400  1
  Nb  Nb29  1  0.82015200  0.60443500  0.38283400  1
  Nb  Nb30  1  0.17984800  0.89556500  0.88283400  1
  Nb  Nb31  1  0.32015200  0.89556500  0.38283400  1
  S  S32  1  0.43411900  0.01063500  0.26533200  1
  S  S33  1  0.06588100  0.01063500  0.76533200  1
  S  S34  1  0.17938500  0.01878900  0.47576900  1
  S  S35  1  0.32061500  0.01878900  0.97576900  1
  S  S36  1  0.96689000  0.18058300  0.99598700  1
  S  S37  1  0.53311000  0.18058300  0.49598700  1
  S  S38  1  0.80202400  0.24792800  0.70130400  1
  S  S39  1  0.69797600  0.24792800  0.20130400  1
  S  S40  1  0.19797600  0.25207200  0.20130400  1
  S  S41  1  0.30202400  0.25207200  0.70130400  1
  S  S42  1  0.03311000  0.31941700  0.49598700  1
  S  S43  1  0.46689000  0.31941700  0.99598700  1
  S  S44  1  0.67938500  0.48121100  0.47576900  1
  S  S45  1  0.82061500  0.48121100  0.97576900  1
  S  S46  1  0.56588100  0.48936500  0.76533200  1
  S  S47  1  0.93411900  0.48936500  0.26533200  1
  S  S48  1  0.43411900  0.51063500  0.23466800  1
  S  S49  1  0.06588100  0.51063500  0.73466800  1
  S  S50  1  0.17938500  0.51878900  0.02423100  1
  S  S51  1  0.32061500  0.51878900  0.52423100  1
  S  S52  1  0.53311000  0.68058300  0.00401300  1
  S  S53  1  0.96689000  0.68058300  0.50401300  1
  S  S54  1  0.69797600  0.74792800  0.29869600  1
  S  S55  1  0.80202400  0.74792800  0.79869600  1
  S  S56  1  0.30202400  0.75207200  0.79869600  1
  S  S57  1  0.19797600  0.75207200  0.29869600  1
  S  S58  1  0.03311000  0.81941700  0.00401300  1
  S  S59  1  0.46689000  0.81941700  0.50401300  1
  S  S60  1  0.67938500  0.98121100  0.02423100  1
  S  S61  1  0.82061500  0.98121100  0.52423100  1
  S  S62  1  0.56588100  0.98936500  0.73466800  1
  S  S63  1  0.93411900  0.98936500  0.23466800  1
