data_GeSbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   152.0
_cell_angle_beta   152.0
_cell_angle_gamma   40.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSbRu
_chemical_formula_sum   'Ge1 Sb1 Ru1'
_cell_volume   57.86
_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  0.62  1.0
  Sb  Sb2  1  0.0  0.0  0.37  1.0
  Ru  Ru1  1  0.0  0.0  0.09  1.0

data_GeSbRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   110.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeSbRu
_chemical_formula_sum   'Ge2 Sb2 Ru2'
_cell_volume   115.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.12  0.5  0.62  1.0
  Sb  Sb1  2  0.37  0.0  0.37  1.0
  Ru  Ru2  2  0.09  0.0  0.09  1.0

Ge Sb Ru
Ge Sb Ru 0 1 o o o 1 2 o o o 