# generated using pymatgen
data_Nb3IrS10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41337245
_cell_length_b   9.25458486
_cell_length_c   9.89039104
_cell_angle_alpha   67.75069909
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3IrS10
_chemical_formula_sum   'Nb3 Ir1 S10'
_cell_volume   289.16896473
_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  0.28967669  0.62833850  1.0
  Nb  Nb1  1  0.50000000  0.71007449  0.36582984  1.0
  Nb  Nb2  1  0.50000000  0.45152241  0.91044655  1.0
  Ir  Ir3  1  0.00000000  0.54846291  0.10717771  1.0
  S  S4  1  0.50000000  0.07120822  0.73476082  1.0
  S  S5  1  0.00000000  0.93148681  0.25929563  1.0
  S  S6  1  0.50000000  0.49235908  0.62864825  1.0
  S  S7  1  0.00000000  0.51088592  0.36122627  1.0
  S  S8  1  0.50000000  0.16429385  0.51360995  1.0
  S  S9  1  0.00000000  0.83538811  0.47994109  1.0
  S  S10  1  0.00000000  0.25554762  0.90114939  1.0
  S  S11  1  0.50000000  0.73138145  0.09627061  1.0
  S  S12  1  0.00000000  0.65830849  0.84720238  1.0
  S  S13  1  0.50000000  0.34940494  0.16610600  1.0