data_[Er2H4Cl6O26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9615]
_cell_length_b [8.0500]
_cell_length_c [9.7259]
_cell_angle_alpha [76.6745]
_cell_angle_beta [75.6002]
_cell_angle_gamma [77.3187]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ErH2Cl3O13]
_chemical_formula_sum '[Er2 H4 Cl6 O26]'
_cell_volume [506.0418]
_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
[
  Er  Er0  2  0.1336  0.6759  0.6889  1
  H  H1  2  0.1980  0.9770  0.7912  1
  H  H2  2  0.3166  0.8117  0.8764  1
  Cl  Cl3  2  0.2101  0.9000  0.3076  1
  Cl  Cl4  2  0.2706  0.3316  0.9908  1
  Cl  Cl5  2  0.2971  0.3213  0.4771  1
  O  O6  2  0.0743  0.0623  0.3416  1
  O  O7  2  0.1179  0.8166  0.2322  1
  O  O8  2  0.1252  0.3855  0.4055  1
  O  O9  2  0.1297  0.3932  0.1187  1
  O  O10  2  0.1978  0.1966  0.9557  1
  O  O11  2  0.2243  0.8505  0.8096  1
  O  O12  2  0.2332  0.7869  0.4491  1
  O  O13  2  0.2660  0.4178  0.5953  1
  O  O14  2  0.2753  0.4832  0.8706  1
  O  O15  2  0.3119  0.1400  0.5355  1
  O  O16  2  0.4032  0.9386  0.2306  1
  O  O17  2  0.4691  0.2803  0.0201  1
  O  O18  2  0.4778  0.3608  0.3714  1
]