data_[Zr4Zn16Ni4]
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 [C2/m]
_cell_length_a [11.9957]
_cell_length_b [5.1907]
_cell_length_c [6.2782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrZn4Ni]
_chemical_formula_sum '[Zr4 Zn16 Ni4]'
_cell_volume [372.2935]
_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  4  0.1862  0.0000  0.3467  1
  Zn  Zn1  8  0.0897  0.2494  0.6810  1
  Zn  Zn2  4  0.0000  0.2518  0.0000  1
  Zn  Zn3  4  0.2213  0.5000  0.0765  1
  Ni  Ni4  4  0.1069  0.5000  0.3504  1
]