data_Mg2GaRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.39
_cell_angle_alpha   114.36
_cell_angle_beta   114.36
_cell_angle_gamma   37.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaRu
_chemical_formula_sum   'Mg2 Ga1 Ru1'
_cell_volume   65.89
_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
  Mg  Mg1  1  0.08  0.0  0.02  1.0
  Mg  Mg2  1  0.9  0.0  0.92  1.0
  Ga  Ga0  1  0.08  0.0  0.1  1.0
  Ru  Ru3  1  0.88  0.0  0.89  1.0

data_Mg2GaRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.39
_cell_length_c   5.22
_cell_angle_alpha   114.36
_cell_angle_beta   108.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaRu
_chemical_formula_sum   'Mg2 Ga1 Ru1'
_cell_volume   65.89
_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
  Mg  Mg0  1  0.0  0.02  0.08  1.0
  Mg  Mg1  1  0.0  0.92  0.9  1.0
  Ga  Ga2  1  0.0  0.1  0.08  1.0
  Ru  Ru3  1  0.0  0.89  0.88  1.0

Mg Mg Ga Ru