data_[Zn2Ni16Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1755]
_cell_length_b [3.8076]
_cell_length_c [5.9207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn(Ni4Sn)2]
_chemical_formula_sum '[Zn2 Ni16 Sn4]'
_cell_volume [280.7042]
_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
[
  Zn  Zn0  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni1  4  0.0330  0.0000  0.7252  1.0
  Ni  Ni2  4  0.0843  0.5000  0.4484  1.0
  Ni  Ni3  4  0.1370  0.0000  0.1824  1.0
  Ni  Ni4  4  0.1672  0.5000  0.9049  1.0
  Sn  Sn5  4  0.2164  0.0000  0.6648  1.0
]