data_[Rb8Cu4I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1971]
_cell_length_b [8.9668]
_cell_length_c [9.9186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb2CuI3]
_chemical_formula_sum '[Rb8 Cu4 I12]'
_cell_volume [1075.1078]
_cell_formula_units_Z [4]
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  8  0.1568  0.3007  0.6569  1.0
  Cu  Cu1  4  0.0000  0.1029  0.2500  1.0
  I  I2  8  0.1531  0.0465  0.9485  1.0
  I  I3  4  0.0000  0.3884  0.2500  1.0
]