data_FeGePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   144.34
_cell_angle_beta   131.65
_cell_angle_gamma   61.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGePd
_chemical_formula_sum   'Fe1 Ge1 Pd1'
_cell_volume   43.41
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.31  1.0
  Pd  Pd2  1  0.0  0.0  0.68  1.0

data_FeGePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.81
_cell_length_c   4.65
_cell_angle_alpha   114.18
_cell_angle_beta   107.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGePd
_chemical_formula_sum   'Fe1 Ge1 Pd1'
_cell_volume   43.41
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.31  0.31  1.0
  Pd  Pd2  1  0.0  0.68  0.68  1.0

Fe Ge Pd
Fe Ge Pd 0 2 o o - 0 1 o o o 1 2 o o o 