data_GaGeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   141.2
_cell_angle_beta   136.12
_cell_angle_gamma   59.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeRu
_chemical_formula_sum   'Ga1 Ge1 Ru1'
_cell_volume   43.99
_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
  Ga  Ga0  1  0.0  0.0  0.07  1.0
  Ge  Ge1  1  0.0  0.0  0.46  1.0
  Ru  Ru2  1  0.0  0.0  0.67  1.0

data_GaGeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.49
_cell_length_c   4.68
_cell_angle_alpha   111.94
_cell_angle_beta   109.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeRu
_chemical_formula_sum   'Ga1 Ge1 Ru1'
_cell_volume   43.99
_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
  Ga  Ga0  1  0.93  0.93  0.93  1.0
  Ge  Ge1  1  0.54  0.54  0.54  1.0
  Ru  Ru2  1  0.33  0.33  0.33  1.0

Ga Ge Ru