data_[Dy21Ga3I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.6969]
_cell_length_b [15.6969]
_cell_length_c [10.4402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Dy7GaI12]
_chemical_formula_sum '[Dy21 Ga3 I36]'
_cell_volume [2227.7636]
_cell_formula_units_Z [3]
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
[
  Dy  Dy0  18  0.0463  0.8832  0.8486  1.0
  Dy  Dy1  3  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0000  1.0
  I  I3  18  0.0216  0.4351  0.6641  1.0
  I  I4  18  0.0517  0.8685  0.3383  1.0
]