data_[Rb4Tb4Cu4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tb  1.1000  1.7500  0.9815
  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 [10.1320]
_cell_length_b [13.2973]
_cell_length_c [11.3682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbTbCuI5]
_chemical_formula_sum '[Rb4 Tb4 Cu4 I20]'
_cell_volume [1403.2237]
_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  4  0.0000  0.3584  0.7500  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.3104  0.2500  1
  I  I3  8  0.1138  0.2054  0.1179  1
  I  I4  8  0.1933  0.4231  0.4323  1
  I  I5  4  0.0000  0.0830  0.7500  1
]