data_[Dy4Y4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3080]
_cell_length_b [4.0849]
_cell_length_c [11.5115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyYI3]
_chemical_formula_sum '[Dy4 Y4 I12]'
_cell_volume [892.8680]
_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  0.0719  0.0000  0.2379  1.0
  Dy  Dy1  4  0.0745  0.5000  0.9707  1.0
  I  I2  4  0.0786  0.0000  0.7632  1.0
  I  I3  4  0.1343  0.5000  0.4453  1.0
  I  I4  4  0.1905  0.0000  0.1323  1.0
]