data_[Rb4Er4Cu4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  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 [10.0822]
_cell_length_b [13.2228]
_cell_length_c [11.2704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbErCuI5]
_chemical_formula_sum '[Rb4 Er4 Cu4 I20]'
_cell_volume [1377.3124]
_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  0.3582  0.7500  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3086  0.2500  1.0
  I  I3  8  0.1131  0.2046  0.1152  1.0
  I  I4  8  0.1956  0.4229  0.4325  1.0
  I  I5  4  0.0000  0.0809  0.7500  1.0
]