data_[Rb6Cu2I8]
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 [Pmn2_1]
_cell_length_a [10.9519]
_cell_length_b [9.5281]
_cell_length_c [8.7141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Rb3CuI4]
_chemical_formula_sum '[Rb6 Cu2 I8]'
_cell_volume [909.3226]
_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  4  0.2397  0.6720  0.0049  1.0
  Rb  Rb1  2  0.0000  0.8676  0.5119  1.0
  Cu  Cu2  2  0.0000  0.1824  0.0029  1.0
  I  I3  4  0.2065  0.3048  0.0971  1.0
  I  I4  2  0.0000  0.2001  0.6995  1.0
  I  I5  2  0.0000  0.9149  0.0970  1.0
]