data_[Rb2Cu2Ir2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6290]
_cell_length_b [3.9272]
_cell_length_c [9.7056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCuIrSe3]
_chemical_formula_sum '[Rb2 Cu2 Ir2 Se6]'
_cell_volume [301.9162]
_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
[
  Rb  Rb0  2  0.2329  0.2500  0.2596  1.0
  Cu  Cu1  2  0.0738  0.2500  0.5905  1.0
  Ir  Ir2  2  0.3208  0.7500  0.8508  1.0
  Se  Se3  2  0.1343  0.2500  0.8578  1.0
  Se  Se4  2  0.2322  0.7500  0.5640  1.0
  Se  Se5  2  0.4832  0.7500  0.1299  1.0
]