data_[Zn16Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6189]
_cell_length_b [5.0155]
_cell_length_c [12.6059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zn2Sn]
_chemical_formula_sum '[Zn16 Sn8]'
_cell_volume [473.2874]
_cell_formula_units_Z [8]
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  0.0508  0.7500  0.9978  1
  Zn  Zn1  2  0.1138  0.7500  0.5010  1
  Zn  Zn2  2  0.2063  0.2500  0.6280  1
  Zn  Zn3  2  0.2600  0.2500  0.9054  1
  Zn  Zn4  2  0.4007  0.7500  0.0090  1
  Zn  Zn5  2  0.4235  0.7500  0.6371  1
  Zn  Zn6  2  0.4482  0.7500  0.4306  1
  Zn  Zn7  2  0.4939  0.7500  0.2279  1
  Sn  Sn8  2  0.0900  0.7500  0.2408  1
  Sn  Sn9  2  0.1916  0.7500  0.7825  1
  Sn  Sn10  2  0.2106  0.2500  0.3949  1
  Sn  Sn11  2  0.3167  0.2500  0.1383  1
]