data_SbPW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   22.02
_cell_angle_beta   22.02
_cell_angle_gamma   22.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPW2
_chemical_formula_sum   'Sb1 P1 W2'
_cell_volume   67.56
_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  Sb1  1  0.0  0.0  0.98  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.0  0.7  1.0
  W  W3  1  0.0  0.0  0.25  1.0

data_SbPW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   3.13
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   102.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbPW2
_chemical_formula_sum   'Sb2 P2 W4'
_cell_volume   135.12
_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
  Sb  Sb0  2  0.0  0.0  0.02  1.0
  P  P1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.0  0.0  0.3  1.0
  W  W3  2  0.0  0.0  0.75  1.0

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