data_MgAlRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlRu2
_chemical_formula_sum   'Mg1 Al1 Ru2'
_cell_volume   59.38
_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  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.14  1.0
  Ru  Ru2  1  0.54  0.0  0.19  1.0
  Ru  Ru3  1  0.54  0.0  0.09  1.0

data_MgAlRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlRu2
_chemical_formula_sum   'Mg1 Al1 Ru2'
_cell_volume   59.38
_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  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.14  1.0
  Ru  Ru2  1  0.54  0.0  0.09  1.0
  Ru  Ru3  1  0.54  0.0  0.19  1.0

Mg Al Ru Ru