data_Mg2AlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   2.85
_cell_angle_alpha   99.93
_cell_angle_beta   99.93
_cell_angle_gamma   118.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlRu
_chemical_formula_sum   'Mg2 Al1 Ru1'
_cell_volume   66.12
_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  0.87  0.28  0.34  1.0
  Mg  Mg2  1  0.87  0.72  0.34  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.7  0.0  0.0  1.0

data_Mg2AlRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.19
_cell_length_c   5.3
_cell_angle_alpha   115.92
_cell_angle_beta   99.93
_cell_angle_gamma   101.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlRu
_chemical_formula_sum   'Mg2 Al1 Ru1'
_cell_volume   66.12
_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  0.06  0.72  0.59  1.0
  Mg  Mg1  1  0.62  0.28  0.15  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.7  1.0

Mg Mg Al Ru