data_[Y4I4Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2858]
_cell_length_b [7.2063]
_cell_length_c [6.7688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YIClO4]
_chemical_formula_sum '[Y4 I4 Cl4 O16]'
_cell_volume [493.8709]
_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
[
  Y  Y0  4  0.2148  0.0000  0.1153  1
  I  I1  4  0.1293  0.5000  0.3055  1
  Cl  Cl2  4  0.0243  0.0000  0.7695  1
  O  O3  8  0.1907  0.3199  0.1471  1
  O  O4  4  0.0547  0.5000  0.7863  1
  O  O5  4  0.2326  0.0000  0.4643  1
]