data_Fe2BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   148.05
_cell_angle_beta   129.14
_cell_angle_gamma   61.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2BPd
_chemical_formula_sum   'Fe2 B1 Pd1'
_cell_volume   41.62
_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  Fe1  1  0.0  0.01  0.37  1.0
  Fe  Fe2  1  0.29  0.0  0.65  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.02  1.0

data_Fe2BPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.02
_cell_length_c   4.68
_cell_angle_alpha   115.43
_cell_angle_beta   105.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2BPd
_chemical_formula_sum   'Fe2 B1 Pd1'
_cell_volume   41.62
_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  0.63  0.64  0.64  1.0
  Fe  Fe1  1  0.64  0.35  0.64  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.98  0.98  0.98  1.0

Fe Fe B Pd