# generated using pymatgen
data_Li3NbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.43527771
_cell_length_b   13.83108651
_cell_length_c   13.31386000
_cell_angle_alpha   85.53079900
_cell_angle_beta   48.41482154
_cell_angle_gamma   46.05437946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NbS4
_chemical_formula_sum   'Li24 Nb8 S32'
_cell_volume   1286.29915799
_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  0.49315600  0.00684400  0.00684400  1
  Li  Li1  1  0.97927700  0.52072300  0.52072300  1
  Li  Li2  1  0.76368100  0.22788500  0.73472500  1
  Li  Li3  1  0.63184900  0.62116900  0.91841200  1
  Li  Li4  1  0.13166700  0.64667800  0.55738100  1
  Li  Li5  1  0.13221500  0.05296600  0.59257400  1
  Li  Li6  1  0.31661900  0.12586400  0.42634100  1
  Li  Li7  1  0.82365900  0.11882500  0.93338100  1
  Li  Li8  1  0.65742600  0.02775400  0.11778500  1
  Li  Li9  1  0.69261900  0.58572500  0.11833300  1
  Li  Li10  1  0.33158800  0.42143000  0.61815100  1
  Li  Li11  1  0.51527500  0.97629200  0.48631900  1
  Li  Li12  1  0.24315600  0.75684400  0.75684400  1
  Li  Li13  1  0.72927700  0.27072300  0.27072300  1
  Li  Li14  1  0.02211500  0.48631900  0.97629200  1
  Li  Li15  1  0.62883100  0.61815100  0.42143000  1
  Li  Li16  1  0.60332200  0.11833300  0.58572500  1
  Li  Li17  1  0.19703400  0.11778500  0.02775400  1
  Li  Li18  1  0.12413600  0.93338100  0.11882500  1
  Li  Li19  1  0.13117500  0.42634100  0.12586400  1
  Li  Li20  1  0.22224600  0.59257400  0.05296600  1
  Li  Li21  1  0.66427500  0.55738100  0.64667800  1
  Li  Li22  1  0.82857000  0.91841200  0.62116900  1
  Li  Li23  1  0.27370800  0.73472500  0.22788500  1
  Nb  Nb24  1  0.42649900  0.30391000  0.09316000  1
  Nb  Nb25  1  0.92581700  0.58644100  0.81859000  1
  Nb  Nb26  1  0.43141000  0.58084800  0.32418300  1
  Nb  Nb27  1  0.15684000  0.07356800  0.82350100  1
  Nb  Nb28  1  0.94609000  0.82350100  0.07356800  1
  Nb  Nb29  1  0.66355900  0.32418300  0.58084800  1
  Nb  Nb30  1  0.66915200  0.81859000  0.58644100  1
  Nb  Nb31  1  0.17643200  0.09316000  0.30391000  1
  S  S32  1  0.88217200  0.30095400  0.61327800  1
  S  S33  1  0.72154000  0.10582000  0.87979200  1
  S  S34  1  0.34928600  0.23738700  0.26423100  1
  S  S35  1  0.85601500  0.75362700  0.74248900  1
  S  S36  1  0.39470800  0.91632600  0.24641500  1
  S  S37  1  0.61379000  0.46244900  0.03012600  1
  S  S38  1  0.12369400  0.87919000  0.53756800  1
  S  S39  1  0.92593800  0.43202100  0.76459700  1
  S  S40  1  0.48540300  0.37255700  0.32406200  1
  S  S41  1  0.71243200  0.79045300  0.12630600  1
  S  S42  1  0.21987400  0.35636500  0.63621000  1
  S  S43  1  0.00358500  0.80744900  0.85529200  1
  S  S44  1  0.50751100  0.60213200  0.39398500  1
  S  S45  1  0.98576900  0.10090500  0.90071400  1
  S  S46  1  0.37020800  0.95715200  0.52846000  1
  S  S47  1  0.63672200  0.04640400  0.36782800  1
  S  S48  1  0.94904600  0.36782800  0.04640400  1
  S  S49  1  0.14418000  0.52846000  0.95715200  1
  S  S50  1  0.01261300  0.90071400  0.10090500  1
  S  S51  1  0.49637300  0.39398500  0.60213200  1
  S  S52  1  0.33367400  0.85529200  0.80744900  1
  S  S53  1  0.78755100  0.63621000  0.35636500  1
  S  S54  1  0.37081000  0.12630600  0.79045300  1
  S  S55  1  0.81797900  0.32406200  0.37255700  1
  S  S56  1  0.87744300  0.76459700  0.43202100  1
  S  S57  1  0.45954700  0.53756800  0.87919000  1
  S  S58  1  0.89363500  0.03012600  0.46244900  1
  S  S59  1  0.44255100  0.24641500  0.91632600  1
  S  S60  1  0.64786800  0.74248900  0.75362700  1
  S  S61  1  0.14909500  0.26423100  0.23738700  1
  S  S62  1  0.29284800  0.87979200  0.10582000  1
  S  S63  1  0.20359600  0.61327800  0.30095400  1
