data_Fe2GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.45
_cell_angle_alpha   100.53
_cell_angle_beta   100.53
_cell_angle_gamma   35.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GePd
_chemical_formula_sum   'Fe2 Ge1 Pd1'
_cell_volume   52.38
_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  0.03  0.0  0.16  1.0
  Fe  Fe1  1  0.25  0.0  0.98  1.0
  Ge  Ge2  1  0.86  0.0  0.16  1.0
  Pd  Pd3  1  0.53  0.0  0.24  1.0

data_Fe2GePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.45
_cell_length_c   4.54
_cell_angle_alpha   100.53
_cell_angle_beta   107.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GePd
_chemical_formula_sum   'Fe2 Ge1 Pd1'
_cell_volume   52.38
_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  0.16  0.03  1.0
  Fe  Fe1  1  0.0  0.98  0.25  1.0
  Ge  Ge2  1  0.0  0.16  0.86  1.0
  Pd  Pd3  1  0.0  0.24  0.53  1.0

Fe Fe Ge Pd