data_[Ir4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4171]
_cell_length_b [2.7852]
_cell_length_c [3.4616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ir2S]
_chemical_formula_sum '[Ir4 S2]'
_cell_volume [100.0404]
_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  2  0.2141  0.5000  0.7775  1
  Ir  Ir1  2  0.3598  0.0000  0.3343  1
  S  S2  2  0.0060  0.5000  0.8631  1
]