data_[Y1Zn3Ni8]
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 [P3m1]
_cell_length_a [4.8117]
_cell_length_b [4.8117]
_cell_length_c [7.8536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YZn3Ni8]
_chemical_formula_sum '[Y1 Zn3 Ni8]'
_cell_volume [157.4667]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5694  1
  Zn  Zn1  1  0.0000  0.0000  0.9575  1
  Zn  Zn2  1  0.6667  0.3333  0.0553  1
  Zn  Zn3  1  0.6667  0.3333  0.4048  1
  Ni  Ni4  3  0.1652  0.3303  0.2444  1
  Ni  Ni5  3  0.5026  0.0052  0.7603  1
  Ni  Ni6  1  0.3333  0.6667  0.0001  1
  Ni  Ni7  1  0.3333  0.6667  0.4991  1
]