data_Fe2BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2BPd
_chemical_formula_sum   'Fe2 B1 Pd1'
_cell_volume   42.28
_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  0.78  0.0  0.22  1.0
  Fe  Fe2  1  0.78  0.0  0.21  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.21  1.0

data_Fe2BPd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Fe2BPd
_chemical_formula_sum   'Fe2 B1 Pd1'
_cell_volume   42.3
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.78  0.0  0.21  1.0
  Fe  Fe1  1  0.78  0.0  0.22  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.21  1.0

Fe Fe B Pd