# generated using pymatgen
data_Nb3IrS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70356888
_cell_length_b   6.70356888
_cell_length_c   8.53750537
_cell_angle_alpha   53.98026603
_cell_angle_beta   53.98026603
_cell_angle_gamma   60.01521030
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3IrS8
_chemical_formula_sum   'Nb3 Ir1 S8'
_cell_volume   243.93217723
_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
  Nb  Nb0  1  0.50000000  0.50000000  0.00000000  1.0
  Nb  Nb1  1  0.50000000  0.00000000  0.00000000  1.0
  Nb  Nb2  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir3  1  0.00000000  0.00000000  0.00000000  1.0
  S  S4  1  0.03888000  0.03888000  0.24677800  1.0
  S  S5  1  0.54304300  0.54304300  0.24782400  1.0
  S  S6  1  0.55273900  0.03925200  0.24614000  1.0
  S  S7  1  0.03925200  0.55273900  0.24614000  1.0
  S  S8  1  0.44726100  0.96074800  0.75386000  1.0
  S  S9  1  0.96074800  0.44726100  0.75386000  1.0
  S  S10  1  0.96112000  0.96112000  0.75322200  1.0
  S  S11  1  0.45695700  0.45695700  0.75217600  1.0