data_[Dy3Hf6Ni27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8639]
_cell_length_b [4.8639]
_cell_length_c [23.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [DyHf2Ni9]
_chemical_formula_sum '[Dy3 Hf6 Ni27]'
_cell_volume [485.5991]
_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  3  0.0000  0.0000  0.0000  1.0
  Hf  Hf1  6  0.0000  0.0000  0.1400  1.0
  Ni  Ni2  18  0.0049  0.5024  0.9142  1.0
  Ni  Ni3  6  0.0000  0.0000  0.3338  1.0
  Ni  Ni4  3  -0.0000  -0.0000  0.5000  1.0
]