data_InGeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   4.59
_cell_angle_alpha   108.5
_cell_angle_beta   108.5
_cell_angle_gamma   34.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGeRu2
_chemical_formula_sum   'In1 Ge1 Ru2'
_cell_volume   63.64
_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
  In  In1  1  0.26  0.0  0.56  1.0
  Ge  Ge0  1  0.08  0.0  0.85  1.0
  Ru  Ru2  1  0.66  0.0  0.03  1.0
  Ru  Ru3  1  0.75  0.0  0.4  1.0

data_InGeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.59
_cell_length_c   5.08
_cell_angle_alpha   108.5
_cell_angle_beta   107.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGeRu2
_chemical_formula_sum   'In1 Ge1 Ru2'
_cell_volume   63.64
_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
  In  In0  1  0.0  0.56  0.26  1.0
  Ge  Ge1  1  0.0  0.85  0.08  1.0
  Ru  Ru2  1  0.0  0.03  0.66  1.0
  Ru  Ru3  1  0.0  0.4  0.75  1.0

In Ge Ru Ru