data_[Zn2Sn2]
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 [3.4907]
_cell_length_b [4.4859]
_cell_length_c [6.2715]
_cell_angle_alpha [100.9166]
_cell_angle_beta [92.0453]
_cell_angle_gamma [110.7645]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZnSn]
_chemical_formula_sum '[Zn2 Sn2]'
_cell_volume [89.5952]
_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  0.1341  0.2687  0.9206  1
  Sn  Sn1  2  0.3676  0.7642  0.6713  1
]