data_[Rb4Li2Er2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3049]
_cell_length_b [8.5565]
_cell_length_c [14.4293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2LiErI6]
_chemical_formula_sum '[Rb4 Li2 Er2 I12]'
_cell_volume [840.1507]
_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  0.2702  0.0638  0.2509  1
  Li  Li1  2  0.5000  0.0000  0.0000  1
  Er  Er2  2  0.0000  0.0000  0.5000  1
  I  I3  4  0.1773  0.0072  0.7501  1
  I  I4  4  0.2359  0.7088  0.5351  1
  I  I5  4  0.3310  0.2027  0.5376  1
]