data_Ga2CoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoRu
_chemical_formula_sum   'Ga2 Co1 Ru1'
_cell_volume   55.17
_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  Ga1  1  0.49  0.0  0.9  1.0
  Ga  Ga2  1  0.49  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.95  1.0

data_Ga2CoRu
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.78
_cell_length_b   7.9
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   115.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Ga2CoRu
_chemical_formula_sum   'Ga2 Co1 Ru1'
_cell_volume   55.17
_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
  Ga  Ga0  1  0.5  0.1  0.0  1.0
  Ga  Ga1  1  0.5  1.0  0.0  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.05  0.0  1.0

Ga Ga Co Ru