data_Ge2SbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SbW
_chemical_formula_sum   'Ge2 Sb1 W1'
_cell_volume   75.7
_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
  Ge  Ge0  1  0.65  0.65  0.82  1.0
  Ge  Ge1  1  0.65  0.65  0.11  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.46  1.0

data_Ge2SbW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge2SbW
_chemical_formula_sum   'Ge4 Sb2 W2'
_cell_volume   151.4
_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
  Ge  Ge0  2  0.15  0.5  0.11  1.0
  Ge  Ge1  2  0.15  0.5  0.82  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.46  1.0

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