data_GaSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSiRu
_chemical_formula_sum   'Ga1 Si1 Ru1'
_cell_volume   44.19
_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  1.0  0.69  0.06  1.0
  Si  Si2  1  0.0  0.0  0.81  1.0
  Ru  Ru1  1  0.46  0.85  0.08  1.0

data_GaSiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSiRu
_chemical_formula_sum   'Ga1 Si1 Ru1'
_cell_volume   44.19
_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  1.0  0.69  0.06  1.0
  Si  Si1  1  0.0  0.0  0.81  1.0
  Ru  Ru2  1  0.46  0.85  0.08  1.0

Ga Si Ru
Ga Si Ru 0 2 + o o 0 1 + + - 