data_[Zn6Sn2]
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 [P-1]
_cell_length_a [4.6733]
_cell_length_b [5.2635]
_cell_length_c [6.6531]
_cell_angle_alpha [98.1947]
_cell_angle_beta [104.9755]
_cell_angle_gamma [90.8329]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zn3Sn]
_chemical_formula_sum '[Zn6 Sn2]'
_cell_volume [156.2523]
_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  0.1493  0.4182  0.1810  1.0
  Zn  Zn1  2  0.1494  0.9139  0.1832  1.0
  Zn  Zn2  2  0.3590  0.8300  0.8280  1.0
  Sn  Sn3  2  0.2763  0.2911  0.6144  1.0
]