data_[Er2Sb2I2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0241]
_cell_length_b [6.4959]
_cell_length_c [8.1071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErSbIO2]
_chemical_formula_sum '[Er2 Sb2 I2 O4]'
_cell_volume [260.3194]
_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  0.4507  0.7500  0.9170  1
  Sb  Sb1  2  0.0134  0.7500  0.2117  1
  I  I2  2  0.2533  0.2500  0.3764  1
  O  O3  4  0.2552  0.0471  0.9090  1
]