data_[Y9Zn24Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2851]
_cell_length_b [5.2851]
_cell_length_c [26.8458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y3Zn8Ni]
_chemical_formula_sum '[Y9 Zn24 Ni3]'
_cell_volume [649.3899]
_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  3  0.0000  0.0000  0.0108  1
  Y  Y1  3  0.0000  0.0000  0.4955  1
  Y  Y2  3  0.0000  0.0000  0.6224  1
  Zn  Zn3  9  0.1669  0.3338  0.3987  1
  Zn  Zn4  9  0.1677  0.3354  0.8945  1
  Zn  Zn5  3  0.0000  0.0000  0.3144  1
  Zn  Zn6  3  0.0000  0.0000  0.8124  1
  Ni  Ni7  3  0.0000  0.0000  0.1149  1
]