data_Sn3W4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.31
_cell_length_b   13.31
_cell_length_c   13.31
_cell_angle_alpha   165.93
_cell_angle_beta   165.93
_cell_angle_gamma   19.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3W4
_chemical_formula_sum   'Sn3 W4'
_cell_volume   139.28
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.21  1.0
  Sn  Sn2  1  0.0  0.0  0.01  1.0
  W  W3  1  0.0  0.0  0.06  1.0
  W  W4  1  0.0  0.0  0.16  1.0
  W  W5  1  0.0  0.0  0.92  1.0
  W  W6  1  0.0  0.0  0.3  1.0

data_Sn3W4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   13.31
_cell_angle_alpha   90.0
_cell_angle_beta   99.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn3W4
_chemical_formula_sum   'Sn6 W8'
_cell_volume   278.56
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.01  0.0  0.01  1.0
  Sn  Sn2  2  0.21  0.0  0.21  1.0
  W  W3  2  0.06  0.0  0.06  1.0
  W  W4  2  0.16  0.0  0.16  1.0
  W  W5  2  0.3  0.0  0.3  1.0
  W  W6  2  0.42  0.5  0.92  1.0

Sn Sn Sn W W W W