data_SbTeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.29
_cell_angle_alpha   111.41
_cell_angle_beta   111.41
_cell_angle_gamma   37.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeW2
_chemical_formula_sum   'Sb1 Te1 W2'
_cell_volume   78.77
_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
  Sb  Sb0  1  0.77  0.0  0.17  1.0
  Te  Te1  1  0.02  0.0  0.87  1.0
  W  W2  1  0.35  0.0  0.58  1.0
  W  W3  1  0.44  0.0  0.58  1.0

data_SbTeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.17
_cell_length_c   5.29
_cell_angle_alpha   111.41
_cell_angle_beta   90.0
_cell_angle_gamma   108.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeW2
_chemical_formula_sum   'Sb1 Te1 W2'
_cell_volume   78.77
_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
  Sb  Sb0  1  0.0  0.23  0.83  1.0
  Te  Te1  1  0.0  0.98  0.13  1.0
  W  W2  1  0.0  0.56  0.42  1.0
  W  W3  1  0.0  0.65  0.42  1.0

Sb Te W W
Sb Te W W 0 3 o o - 0 3 o o o 0 3 + o o 0 2 o o - 0 2 + o o 0 0 + - o 0 1 + o - 1 3 - o o 1 3 o o o 1 2 o o o 2 3 o o o 