data_GeRuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   6.43
_cell_angle_alpha   152.18
_cell_angle_beta   140.86
_cell_angle_gamma   48.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRuCl2
_chemical_formula_sum   'Ge1 Ru1 Cl2'
_cell_volume   78.03
_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  Ge2  1  0.0  0.0  0.75  1.0
  Ru  Ru3  1  0.0  0.15  0.83  1.0
  Cl  Cl0  1  0.0  0.0  0.07  1.0
  Cl  Cl1  1  0.55  0.0  0.79  1.0

data_GeRuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.31
_cell_length_c   6.43
_cell_angle_alpha   109.57
_cell_angle_beta   103.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRuCl2
_chemical_formula_sum   'Ge1 Ru1 Cl2'
_cell_volume   78.03
_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  0.25  0.25  0.25  1.0
  Ru  Ru1  1  0.17  0.33  0.33  1.0
  Cl  Cl2  1  0.76  0.21  0.76  1.0
  Cl  Cl3  1  0.93  0.93  0.93  1.0

Ge Ru Cl Cl