data_[Si6Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [12.1953]
_cell_length_b [4.2034]
_cell_length_c [7.5026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SiSn]
_chemical_formula_sum '[Si6 Sn6]'
_cell_volume [384.5937]
_cell_formula_units_Z [6]
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
[
  Si  Si0  4  0.2076  0.3413  0.6713  1
  Si  Si1  2  0.0000  0.0039  0.3935  1
  Sn  Sn2  4  0.2073  0.1594  0.3268  1
  Sn  Sn3  2  0.0000  0.4981  0.6122  1
]