data_GeIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.02
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   103.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIr2Ru
_chemical_formula_sum   'Ge1 Ir2 Ru1'
_cell_volume   58.81
_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  0.54  0.0  0.86  1.0
  Ir  Ir1  1  0.21  0.01  0.17  1.0
  Ir  Ir2  1  0.08  0.0  0.33  1.0
  Ru  Ru3  1  0.7  0.01  0.62  1.0

data_GeIr2Ru
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.82
_cell_length_b   4.02
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   103.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   GeIr2Ru
_chemical_formula_sum   'Ge1 Ir2 Ru1'
_cell_volume   58.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.54  0.0  0.86  1.0
  Ir  Ir1  1  0.08  0.0  0.33  1.0
  Ir  Ir2  1  0.21  0.0  0.17  1.0
  Ru  Ru3  1  0.7  0.0  0.62  1.0

Ge Ir Ir Ru
Ge Ir Ir Ru 0 3 o o o 1 2 o o o 