data_[Dy6Ni45Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3403]
_cell_length_b [8.3403]
_cell_length_c [12.2480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Dy2Ni15Ge2]
_chemical_formula_sum '[Dy6 Ni45 Ge6]'
_cell_volume [737.8434]
_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  6  0.0000  0.0000  0.3499  1
  Ni  Ni1  18  0.0000  0.3022  0.0000  1
  Ni  Ni2  18  0.0006  0.5003  0.8442  1
  Ni  Ni3  9  0.0000  0.5000  0.5000  1
  Ge  Ge4  6  0.0000  0.0000  0.1052  1
]