# generated using pymatgen
data_NbIrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96440838
_cell_length_b   6.96440838
_cell_length_c   5.59337975
_cell_angle_alpha   68.53471753
_cell_angle_beta   68.53471753
_cell_angle_gamma   29.11939737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIrS4
_chemical_formula_sum   'Nb1 Ir1 S4'
_cell_volume   122.22143169
_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  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir1  1  0.50000000  0.50000000  0.50000000  1.0
  S  S2  1  0.88352800  0.88352800  0.46186300  1.0
  S  S3  1  0.62169500  0.62169500  0.05381900  1.0
  S  S4  1  0.11647200  0.11647200  0.53813700  1.0
  S  S5  1  0.37830500  0.37830500  0.94618100  1.0