data_[Zr22Zn18Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [13.0842]
_cell_length_b [19.8110]
_cell_length_c [3.3000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zr11Zn9Ni4]
_chemical_formula_sum '[Zr22 Zn18 Ni8]'
_cell_volume [855.4069]
_cell_formula_units_Z [2]
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
[
  Zr  Zr0  8  0.2384  0.1712  0.0000  1
  Zr  Zr1  4  0.0000  0.1635  0.0000  1
  Zr  Zr2  4  0.0000  0.3682  0.0000  1
  Zr  Zr3  4  0.1989  0.5000  0.0000  1
  Zr  Zr4  2  0.0000  0.0000  0.0000  1
  Zn  Zn5  8  0.1043  0.2640  0.5000  1
  Zn  Zn6  8  0.1430  0.0707  0.5000  1
  Zn  Zn7  2  0.0000  0.5000  0.5000  1
  Ni  Ni8  8  0.1520  0.3998  0.5000  1
]