data_Mo2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.78
_cell_angle_alpha   100.02
_cell_angle_beta   100.02
_cell_angle_gamma   33.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2IrPd
_chemical_formula_sum   'Mo2 Ir1 Pd1'
_cell_volume   61.43
_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
  Mo  Mo1  1  0.65  0.0  0.48  1.0
  Mo  Mo2  1  0.81  0.0  0.22  1.0
  Ir  Ir0  1  0.23  0.0  0.35  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Mo2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.78
_cell_length_c   4.87
_cell_angle_alpha   100.02
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2IrPd
_chemical_formula_sum   'Mo2 Ir1 Pd1'
_cell_volume   61.43
_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
  Mo  Mo0  1  0.0  0.22  0.81  1.0
  Mo  Mo1  1  0.0  0.48  0.65  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.35  0.23  1.0

Mo Mo Ir Pd