data_[Cs1Rb2Ir1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8317]
_cell_length_b [6.9721]
_cell_length_c [9.6532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsRb2IrCl8]
_chemical_formula_sum '[Cs1 Rb2 Ir1 Cl8]'
_cell_volume [379.7878]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Rb  Rb1  2  0.3464  0.5000  0.1872  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1705  0.2361  0.8858  1.0
  Cl  Cl4  2  0.2446  0.5000  0.5039  1.0
  Cl  Cl5  2  0.3265  0.0000  0.2006  1.0
]