data_MgPdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   154.6
_cell_angle_beta   154.6
_cell_angle_gamma   36.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPdRu
_chemical_formula_sum   'Mg1 Pd1 Ru1'
_cell_volume   46.13
_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  0.98  1.0
  Pd  Pd1  1  0.0  0.0  0.96  1.0
  Ru  Ru2  1  0.0  0.0  0.05  1.0

data_MgPdRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgPdRu
_chemical_formula_sum   'Mg2 Pd2 Ru2'
_cell_volume   92.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.48  0.5  0.98  1.0
  Ru  Ru1  2  0.05  0.0  0.05  1.0
  Pd  Pd2  2  0.46  0.5  0.96  1.0

Mg Pd Ru