# generated using pymatgen
data_Nb3IrS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72541297
_cell_length_b   6.72541297
_cell_length_c   13.95212201
_cell_angle_alpha   69.26500242
_cell_angle_beta   69.26500242
_cell_angle_gamma   60.35028922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3IrS8
_chemical_formula_sum   'Nb6 Ir2 S16'
_cell_volume   500.33914263
_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
  Nb  Nb0  1  0.36720000  0.15821500  0.75131600  1.0
  Nb  Nb1  1  0.85664900  0.14335100  0.75000000  1.0
  Nb  Nb2  1  0.84178500  0.63280000  0.74868400  1.0
  Nb  Nb3  1  0.15821500  0.36720000  0.25131600  1.0
  Nb  Nb4  1  0.14335100  0.85664900  0.25000000  1.0
  Nb  Nb5  1  0.63280000  0.84178500  0.24868400  1.0
  Ir  Ir6  1  0.58430800  0.41569200  0.25000000  1.0
  Ir  Ir7  1  0.41569200  0.58430800  0.75000000  1.0
  S  S8  1  0.48527700  0.21872200  0.88132600  1.0
  S  S9  1  0.96816300  0.24783200  0.87074200  1.0
  S  S10  1  0.98129600  0.27719900  0.14726300  1.0
  S  S11  1  0.01870400  0.72280100  0.85273700  1.0
  S  S12  1  0.73852400  0.46368800  0.36912400  1.0
  S  S13  1  0.53631200  0.26147600  0.13087600  1.0
  S  S14  1  0.46368800  0.73852400  0.86912400  1.0
  S  S15  1  0.21872200  0.48527700  0.38132600  1.0
  S  S16  1  0.26147600  0.53631200  0.63087600  1.0
  S  S17  1  0.51472300  0.78127800  0.11867400  1.0
  S  S18  1  0.24783200  0.96816300  0.37074200  1.0
  S  S19  1  0.03183700  0.75216800  0.12925800  1.0
  S  S20  1  0.78127800  0.51472300  0.61867400  1.0
  S  S21  1  0.72280100  0.01870400  0.35273700  1.0
  S  S22  1  0.75216800  0.03183700  0.62925800  1.0
  S  S23  1  0.27719900  0.98129600  0.64726300  1.0