data_Sn2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   133.98
_cell_angle_beta   133.98
_cell_angle_gamma   67.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2TeW
_chemical_formula_sum   'Sn2 Te1 W1'
_cell_volume   92.51
_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  0.21  0.36  1.0
  Sn  Sn1  1  0.21  0.0  0.36  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.72  1.0

data_Sn2TeW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   123.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn2TeW
_chemical_formula_sum   'Sn4 Te2 W2'
_cell_volume   185.02
_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  4  0.25  0.39  0.85  1.0
  Te  Te1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.28  0.0  0.28  1.0

Sn Sn Te W
Sn Sn Te W 0 2 o o o 0 1 o o o 1 2 o o o 2 3 o o - 