data_[Dy12Ge12Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3225]
_cell_length_b [10.5123]
_cell_length_c [14.3345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Dy3Ge3Ir2]
_chemical_formula_sum '[Dy12 Ge12 Ir8]'
_cell_volume [651.3517]
_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
[
  Dy  Dy0  8  0.0000  0.0839  0.6104  1.0
  Dy  Dy1  4  0.0000  0.3586  0.7500  1.0
  Ge  Ge2  8  0.0000  0.3761  0.5350  1.0
  Ge  Ge3  4  0.0000  0.3440  0.2500  1.0
  Ir  Ir4  8  0.0000  0.1997  0.1025  1.0
]