data_MgPdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   147.5
_cell_angle_beta   131.66
_cell_angle_gamma   59.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPdRu
_chemical_formula_sum   'Mg1 Pd1 Ru1'
_cell_volume   46.17
_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  0.46  1.0
  Pd  Pd1  1  0.0  0.0  0.82  1.0
  Ru  Ru2  1  0.0  0.0  0.66  1.0

data_MgPdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   3.99
_cell_length_c   4.88
_cell_angle_alpha   114.17
_cell_angle_beta   106.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPdRu
_chemical_formula_sum   'Mg1 Pd1 Ru1'
_cell_volume   46.17
_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  0.54  0.54  0.54  1.0
  Pd  Pd1  1  0.18  0.18  0.18  1.0
  Ru  Ru2  1  0.34  0.34  0.34  1.0

Mg Pd Ru
Mg Pd Ru 0 2 o o o 1 2 o o o 