data_GaSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.22
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   104.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi2Ru
_chemical_formula_sum   'Ga1 Si2 Ru1'
_cell_volume   61.76
_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  0.0  1.0
  Si  Si2  1  0.55  0.11  0.46  1.0
  Si  Si3  1  0.43  0.11  0.16  1.0
  Ru  Ru1  1  0.99  0.0  0.31  1.0

data_GaSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.22
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   104.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi2Ru
_chemical_formula_sum   'Ga1 Si2 Ru1'
_cell_volume   61.76
_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  0.0  1.0
  Si  Si1  1  0.43  0.11  0.16  1.0
  Si  Si2  1  0.55  0.11  0.46  1.0
  Ru  Ru3  1  0.99  0.0  0.31  1.0

Ga Si Si Ru
Ga Si Si Ru 0 3 - o o 0 2 o o o 1 2 o o o 1 3 o o o 1 3 - o o 2 3 o o o 2 3 - o o 