data_GaCo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.07
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo2Ru
_chemical_formula_sum   'Ga1 Co2 Ru1'
_cell_volume   50.69
_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  Ga2  1  0.48  0.0  0.1  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.48  0.04  0.0  1.0
  Ru  Ru3  1  0.0  0.04  0.1  1.0

data_GaCo2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.07
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo2Ru
_chemical_formula_sum   'Ga1 Co2 Ru1'
_cell_volume   50.69
_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  0.48  0.0  0.1  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.48  0.04  0.0  1.0
  Ru  Ru3  1  0.0  0.04  0.1  1.0

Ga Co Co Ru
Ga Co Co Ru 0 2 o o o 1 3 o o o 