data_[Zr8Si4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8257]
_cell_length_b [5.1969]
_cell_length_c [6.9812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2SiNi2]
_chemical_formula_sum '[Zr8 Si4 Ni8]'
_cell_volume [311.2411]
_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  0.1497  0.1266  0.1468  1.0
  Si  Si1  4  0.0000  0.3256  0.7500  1.0
  Ni  Ni2  8  0.1304  0.3768  0.4978  1.0
]