data_[Ir4Se2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7161]
_cell_length_b [2.9902]
_cell_length_c [6.4422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ir2SeCl]
_chemical_formula_sum '[Ir4 Se2 Cl2]'
_cell_volume [186.8436]
_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  0.0696  0.0000  0.1446  1
  Ir  Ir1  2  0.2972  0.5000  0.1507  1
  Se  Se2  2  0.4424  0.0000  0.3760  1
  Cl  Cl3  2  0.1908  0.0000  0.8287  1
]