data_GeRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRuW2
_chemical_formula_sum   'Ge1 Ru1 W2'
_cell_volume   61.42
_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  0.63  1.0
  Ru  Ru1  1  0.95  0.0  0.95  1.0
  W  W2  1  0.0  0.0  0.14  1.0
  W  W3  1  0.95  0.0  0.59  1.0

data_GeRuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRuW2
_chemical_formula_sum   'Ge1 Ru1 W2'
_cell_volume   61.42
_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  0.63  1.0
  Ru  Ru1  1  0.95  0.0  0.95  1.0
  W  W2  1  0.0  0.0  0.14  1.0
  W  W3  1  0.95  0.0  0.59  1.0

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