data_Si6Sn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.2
_cell_length_b   9.2
_cell_length_c   9.2
_cell_angle_alpha   44.19
_cell_angle_beta   44.19
_cell_angle_gamma   44.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si6Sn7
_chemical_formula_sum   'Si6 Sn7'
_cell_volume   343.47
_cell_formula_units_Z   1
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  1  0.0  0.0  0.52  1.0
  Si  Si1  1  0.0  0.0  0.33  1.0
  Si  Si2  1  0.0  0.0  0.83  1.0
  Si  Si3  1  0.0  0.0  0.03  1.0
  Si  Si4  1  0.0  0.0  0.73  1.0
  Si  Si5  1  0.0  0.0  0.12  1.0
  Sn  Sn6  1  0.31  0.97  0.07  1.0
  Sn  Sn7  1  0.0  0.05  0.07  1.0
  Sn  Sn8  1  0.69  0.97  0.07  1.0
  Sn  Sn9  1  0.69  0.03  0.79  1.0
  Sn  Sn10  1  0.31  0.03  0.79  1.0
  Sn  Sn11  1  0.0  0.95  0.79  1.0
  Sn  Sn12  1  0.0  0.0  0.0  1.0

data_Si6Sn7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   9.2
_cell_angle_alpha   67.91
_cell_angle_beta   67.91
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si6Sn7
_chemical_formula_sum   'Si6 Sn7'
_cell_volume   343.47
_cell_formula_units_Z   1
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  1  0.0  0.17  0.83  1.0
  Si  Si1  1  0.0  0.27  0.73  1.0
  Si  Si2  1  0.0  0.48  0.52  1.0
  Si  Si3  1  0.0  0.67  0.33  1.0
  Si  Si4  1  0.0  0.88  0.12  1.0
  Si  Si5  1  0.0  0.97  0.03  1.0
  Sn  Sn6  1  0.0  0.0  0.0  1.0
  Sn  Sn7  1  0.03  0.93  0.35  1.0
  Sn  Sn8  1  0.03  0.93  0.73  1.0
  Sn  Sn9  1  0.05  0.21  0.74  1.0
  Sn  Sn10  1  0.95  0.93  0.12  1.0
  Sn  Sn11  1  0.97  0.21  0.13  1.0
  Sn  Sn12  1  0.97  0.21  0.5  1.0

Si Si Si Si Si Si Sn Sn Sn Sn Sn Sn Sn