data_[Rb2Er1H1I6]
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
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6467]
_cell_length_b [8.5828]
_cell_length_c [8.7242]
_cell_angle_alpha [115.7965]
_cell_angle_beta [101.4998]
_cell_angle_gamma [107.7135]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2ErHI6]
_chemical_formula_sum '[Rb2 Er1 H1 I6]'
_cell_volume [452.8421]
_cell_formula_units_Z [1]
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  0.1620  0.7291  0.4141  1.0
  Er  Er1  1  0.0000  0.0000  0.0000  1.0
  H  H2  1  0.5000  0.5000  0.0000  1.0
  I  I3  2  0.2227  0.7813  0.8585  1.0
  I  I4  2  0.2508  0.3807  0.0135  1.0
  I  I5  2  0.2637  0.1662  0.3926  1.0
]