# generated using pymatgen
data_Ir2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01202360
_cell_length_b   6.01202310
_cell_length_c   6.30272364
_cell_angle_alpha   118.48585418
_cell_angle_beta   61.51414714
_cell_angle_gamma   120.00027858
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2S3
_chemical_formula_sum   'Ir4 S6'
_cell_volume   164.67315691
_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
  Ir  Ir0  1  0.64819549  0.35180426  0.05541545  1.0
  Ir  Ir1  1  0.85180395  0.14819528  0.44458593  1.0
  Ir  Ir2  1  0.14819505  0.85180372  0.55541407  1.0
  Ir  Ir3  1  0.35180451  0.64819474  0.94458555  1.0
  S  S4  1  0.54665176  0.74999826  0.24999484  1.0
  S  S5  1  0.25000589  0.04665449  0.25000142  1.0
  S  S6  1  0.95334872  0.45335091  0.24999810  1.0
  S  S7  1  0.04665128  0.54665009  0.75000290  1.0
  S  S8  1  0.74999311  0.95334551  0.74999958  1.0
  S  S9  1  0.45334624  0.25000174  0.75000616  1.0