# generated using pymatgen
data_Li7NbS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25625400
_cell_length_b   7.19131200
_cell_length_c   12.41713679
_cell_angle_alpha   56.08325005
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7NbS6
_chemical_formula_sum   'Li14 Nb2 S12'
_cell_volume   537.70150442
_cell_formula_units_Z   2
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  0.40806400  0.37458900  0.54522400  1
  Li  Li1  1  0.90723300  0.18508400  0.70084500  1
  Li  Li2  1  0.91570200  0.49448000  0.31436700  1
  Li  Li3  1  0.51797000  0.47823400  0.23324300  1
  Li  Li4  1  0.02261400  0.65843400  0.01788800  1
  Li  Li5  1  0.36777900  0.86576500  0.83187600  1
  Li  Li6  1  0.73390600  0.12605500  0.48126900  1
  Li  Li7  1  0.59193600  0.37458900  0.04522400  1
  Li  Li8  1  0.09276700  0.18508400  0.20084500  1
  Li  Li9  1  0.08429800  0.49448000  0.81436700  1
  Li  Li10  1  0.48203000  0.47823400  0.73324300  1
  Li  Li11  1  0.97738600  0.65843400  0.51788800  1
  Li  Li12  1  0.63222100  0.86576500  0.33187600  1
  Li  Li13  1  0.26609400  0.12605500  0.98126900  1
  Nb  Nb14  1  0.75359900  0.99146100  0.00453200  1
  Nb  Nb15  1  0.24640100  0.99146100  0.50453200  1
  S  S16  1  0.23060400  0.24784600  0.75151500  1
  S  S17  1  0.73689300  0.46517300  0.49345900  1
  S  S18  1  0.24415000  0.37239100  0.36535400  1
  S  S19  1  0.73938500  0.83242400  0.88960100  1
  S  S20  1  0.98276300  0.86592500  0.62682700  1
  S  S21  1  0.49706200  0.88417000  0.63811600  1
  S  S22  1  0.76939600  0.24784600  0.25151500  1
  S  S23  1  0.26310700  0.46517300  0.99345900  1
  S  S24  1  0.75585000  0.37239100  0.86535400  1
  S  S25  1  0.26061500  0.83242400  0.38960100  1
  S  S26  1  0.01723700  0.86592500  0.12682700  1
  S  S27  1  0.50293800  0.88417000  0.13811600  1
