data_GeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   141.6
_cell_angle_beta   141.6
_cell_angle_gamma   55.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeW2
_chemical_formula_sum   'Ge1 W2'
_cell_volume   47.08
_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  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.93  1.0
  W  W2  1  0.0  0.0  0.87  1.0

data_GeW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   117.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeW2
_chemical_formula_sum   'Ge2 W4'
_cell_volume   94.16
_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  0.0  0.0  0.0  1.0
  W  W1  2  0.0  0.0  0.07  1.0
  W  W2  2  0.0  0.0  0.13  1.0

Ge W W
Ge W W 0 1 o o - 1 2 o o o 