data_[Rb2Cu2I6]
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 [Pmma]
_cell_length_a [10.0064]
_cell_length_b [4.4909]
_cell_length_c [9.1877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [RbCuI3]
_chemical_formula_sum '[Rb2 Cu2 I6]'
_cell_volume [412.8767]
_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  0.2500  0.5000  0.5604  1.0
  Cu  Cu1  2  0.2500  0.0000  0.1416  1.0
  I  I2  4  0.0361  0.0000  0.3087  1.0
  I  I3  2  0.2500  0.5000  0.9975  1.0
]