data_Ge2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   4.06
_cell_angle_alpha   92.15
_cell_angle_beta   92.15
_cell_angle_gamma   26.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2RuCl
_chemical_formula_sum   'Ge2 Ru1 Cl1'
_cell_volume   79.68
_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  Ge1  1  0.87  0.0  0.42  1.0
  Ge  Ge2  1  0.2  0.0  0.56  1.0
  Ru  Ru3  1  0.73  0.0  0.47  1.0
  Cl  Cl0  1  0.52  0.0  0.62  1.0

data_Ge2RuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.06
_cell_length_c   6.68
_cell_angle_alpha   92.15
_cell_angle_beta   103.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2RuCl
_chemical_formula_sum   'Ge2 Ru1 Cl1'
_cell_volume   79.68
_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  0.42  0.87  1.0
  Ge  Ge1  1  0.0  0.56  0.2  1.0
  Ru  Ru2  1  0.0  0.47  0.73  1.0
  Cl  Cl3  1  0.0  0.62  0.52  1.0

Ge Ge Ru Cl
Ge Ge Ru Cl 0 2 o o o 0 1 + o o 1 3 o o o 2 3 o o o 