data_Ge2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   3.6
_cell_angle_alpha   107.12
_cell_angle_beta   107.12
_cell_angle_gamma   119.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2AsRu
_chemical_formula_sum   'Ge2 As1 Ru1'
_cell_volume   68.06
_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  0.26  0.23  0.46  1.0
  Ge  Ge2  1  0.26  0.77  0.46  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.61  0.0  0.0  1.0

data_Ge2AsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.28
_cell_length_c   5.17
_cell_angle_alpha   111.64
_cell_angle_beta   107.12
_cell_angle_gamma   97.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2AsRu
_chemical_formula_sum   'Ge2 As1 Ru1'
_cell_volume   68.06
_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  0.23  0.77  0.03  1.0
  Ge  Ge1  1  0.69  0.23  0.49  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.61  1.0

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