data_MgIrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.67
_cell_angle_alpha   99.21
_cell_angle_beta   99.21
_cell_angle_gamma   33.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIrRu2
_chemical_formula_sum   'Mg1 Ir1 Ru2'
_cell_volume   58.83
_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
  Ir  Ir0  1  0.22  0.0  0.3  1.0
  Ru  Ru2  1  0.81  0.0  0.18  1.0
  Ru  Ru3  1  0.63  0.0  0.42  1.0

data_MgIrRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.67
_cell_length_c   4.81
_cell_angle_alpha   99.21
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIrRu2
_chemical_formula_sum   'Mg1 Ir1 Ru2'
_cell_volume   58.83
_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
  Ru  Ru1  1  0.0  0.18  0.81  1.0
  Ir  Ir2  1  0.0  0.3  0.22  1.0
  Ru  Ru3  1  0.0  0.42  0.63  1.0

Mg Ir Ru Ru