data_[Y6Ho3Fe6Ni21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9709]
_cell_length_b [4.9709]
_cell_length_c [24.3049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y2HoFe2Ni7]
_chemical_formula_sum '[Y6 Ho3 Fe6 Ni21]'
_cell_volume [520.1198]
_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
[
  Y  Y0  6  0.0000  0.0000  0.1386  1
  Ho  Ho1  3  0.0000  0.0000  0.0000  1
  Fe  Fe2  6  0.0000  0.0000  0.3327  1
  Ni  Ni3  18  0.0010  0.5005  0.0809  1
  Ni  Ni4  3  -0.0000  -0.0000  0.5000  1
]