data_[Rb2Cu14I24]
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 [Im-3]
_cell_length_a [10.6022]
_cell_length_b [10.6022]
_cell_length_c [10.6022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [RbCu7I12]
_chemical_formula_sum '[Rb2 Cu14 I24]'
_cell_volume [1191.7648]
_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  0.0000  0.0000  0.0000  1
  Cu  Cu1  8  0.2500  0.2500  0.2500  1
  Cu  Cu2  6  0.0000  0.0000  0.5000  1
  I  I3  24  0.0000  0.3170  0.1778  1
]