data_[Y8Zn12Ni16]
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 [Cmce]
_cell_length_a [5.2973]
_cell_length_b [15.1175]
_cell_length_c [7.0252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Y2Zn3Ni4]
_chemical_formula_sum '[Y8 Zn12 Ni16]'
_cell_volume [562.5990]
_cell_formula_units_Z [4]
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  8  0.0000  0.1075  0.5854  1.0
  Zn  Zn1  8  0.2500  0.2331  0.2500  1.0
  Zn  Zn2  4  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  8  0.0000  0.1685  0.9882  1.0
  Ni  Ni4  8  0.2500  0.0700  0.2500  1.0
]