data_Sn3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   10.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3W
_chemical_formula_sum   'Sn12 W4'
_cell_volume   359.5
_cell_formula_units_Z   4
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
  Sn  Sn0  1  0.45  0.68  0.42  1.0
  Sn  Sn1  1  0.45  0.68  0.0  1.0
  Sn  Sn2  1  0.55  0.68  0.42  1.0
  Sn  Sn3  1  0.09  0.0  0.42  1.0
  Sn  Sn4  1  0.09  0.0  0.0  1.0
  Sn  Sn5  1  0.55  0.68  0.0  1.0
  Sn  Sn6  1  0.61  0.5  0.13  1.0
  Sn  Sn7  1  0.49  0.86  0.71  1.0
  Sn  Sn8  1  0.39  0.5  0.13  1.0
  Sn  Sn9  1  0.0  0.72  0.13  1.0
  Sn  Sn10  1  0.09  0.64  0.71  1.0
  Sn  Sn11  1  0.7  0.86  0.71  1.0
  W  W12  1  0.0  0.0  0.42  1.0
  W  W13  1  0.0  0.0  0.0  1.0
  W  W14  1  0.09  0.79  0.13  1.0
  W  W15  1  0.0  0.57  0.71  1.0

data_Sn3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   10.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3W
_chemical_formula_sum   'Sn12 W4'
_cell_volume   359.5
_cell_formula_units_Z   4
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
  Sn  Sn0  1  -0.0  0.72  0.13  1.0
  Sn  Sn1  1  0.09  0.64  0.71  1.0
  Sn  Sn2  1  0.09  0.0  -0.0  1.0
  Sn  Sn3  1  0.09  0.0  0.42  1.0
  Sn  Sn4  1  0.39  0.5  0.13  1.0
  Sn  Sn5  1  0.45  0.68  -0.0  1.0
  Sn  Sn6  1  0.45  0.68  0.42  1.0
  Sn  Sn7  1  0.49  0.86  0.71  1.0
  Sn  Sn8  1  0.55  0.68  -0.0  1.0
  Sn  Sn9  1  0.55  0.68  0.42  1.0
  Sn  Sn10  1  0.61  0.5  0.13  1.0
  Sn  Sn11  1  0.7  0.86  0.71  1.0
  W  W12  1  -0.0  0.57  0.71  1.0
  W  W13  1  0.0  0.0  0.0  1.0
  W  W14  1  0.0  0.0  0.42  1.0
  W  W15  1  0.09  0.79  0.13  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn W W W W
Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn W W W W 0 2 o o o 1 5 o o o 3 12 o o o 4 13 o o o 6 8 o o o 7 11 o o o 9 14 o o o 10 15 o o o 