data_Ge2SbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.01
_cell_angle_alpha   101.16
_cell_angle_beta   101.16
_cell_angle_gamma   42.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SbRu
_chemical_formula_sum   'Ge2 Sb1 Ru1'
_cell_volume   79.65
_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  0.95  0.0  0.4  1.0
  Ge  Ge1  1  0.07  0.0  0.77  1.0
  Sb  Sb3  1  0.07  0.0  0.17  1.0
  Ru  Ru2  1  0.66  0.0  0.48  1.0

data_Ge2SbRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.5
_cell_length_c   6.01
_cell_angle_alpha   101.16
_cell_angle_beta   90.0
_cell_angle_gamma   111.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SbRu
_chemical_formula_sum   'Ge2 Sb1 Ru1'
_cell_volume   79.65
_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  0.05  0.6  1.0
  Ge  Ge1  1  0.0  0.93  0.23  1.0
  Sb  Sb2  1  0.0  0.93  0.83  1.0
  Ru  Ru3  1  0.0  0.34  0.52  1.0

Ge Ge Sb Ru