data_[Zr8Al8Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5239]
_cell_length_b [5.5396]
_cell_length_c [6.9373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2Al2Ni]
_chemical_formula_sum '[Zr8 Al8 Ni4]'
_cell_volume [355.1650]
_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
[
  Zr  Zr0  8  0.1422  0.3949  0.1449  1.0
  Al  Al1  8  0.1248  0.1116  0.4903  1.0
  Ni  Ni2  4  0.0000  0.1910  0.7500  1.0
]