data_Fe2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.65
_cell_angle_alpha   98.8
_cell_angle_beta   98.8
_cell_angle_gamma   33.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2MoPd
_chemical_formula_sum   'Fe2 Mo1 Pd1'
_cell_volume   54.63
_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
  Fe  Fe0  1  1.0  0.0  0.03  1.0
  Fe  Fe1  1  0.47  0.0  0.12  1.0
  Mo  Mo2  1  0.11  0.0  0.26  1.0
  Pd  Pd3  1  0.7  0.0  0.48  1.0

data_Fe2MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.65
_cell_length_c   4.66
_cell_angle_alpha   98.8
_cell_angle_beta   106.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2MoPd
_chemical_formula_sum   'Fe2 Mo1 Pd1'
_cell_volume   54.63
_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
  Fe  Fe0  1  0.0  0.03  1.0  1.0
  Fe  Fe1  1  0.0  0.12  0.47  1.0
  Mo  Mo2  1  0.0  0.26  0.11  1.0
  Pd  Pd3  1  0.0  0.48  0.7  1.0

Fe Fe Mo Pd