data_GeRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.04
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   103.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRu2W
_chemical_formula_sum   'Ge1 Ru2 W1'
_cell_volume   59.17
_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
  Ru  Ru1  1  0.78  0.02  0.27  1.0
  Ru  Ru2  1  0.79  0.02  0.94  1.0
  W  W3  1  0.38  0.0  0.61  1.0

data_GeRu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.04
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   103.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRu2W
_chemical_formula_sum   'Ge1 Ru2 W1'
_cell_volume   59.17
_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
  Ru  Ru1  1  0.78  0.02  0.27  1.0
  Ru  Ru2  1  0.79  0.02  0.94  1.0
  W  W3  1  0.38  0.0  0.61  1.0

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