data_[Zn4Cu16Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1044]
_cell_length_b [3.7121]
_cell_length_c [5.8174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2Cu8Si]
_chemical_formula_sum '[Zn4 Cu16 Si2]'
_cell_volume [271.7886]
_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  4  0.2216  0.0000  0.6411  1
  Cu  Cu1  4  0.0429  0.0000  0.7268  1
  Cu  Cu2  4  0.0888  0.5000  0.4417  1
  Cu  Cu3  4  0.1356  0.0000  0.1760  1
  Cu  Cu4  4  0.1782  0.5000  0.9116  1
  Si  Si5  2  0.0000  0.5000  0.0000  1
]