data_Be2FePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.67
_cell_angle_alpha   99.05
_cell_angle_beta   99.05
_cell_angle_gamma   39.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FePd
_chemical_formula_sum   'Be2 Fe1 Pd1'
_cell_volume   43.86
_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
  Be  Be0  1  0.31  0.0  0.03  1.0
  Be  Be1  1  0.23  0.0  0.57  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.27  0.0  0.3  1.0

data_Be2FePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   3.89
_cell_length_c   4.67
_cell_angle_alpha   99.05
_cell_angle_beta   90.0
_cell_angle_gamma   109.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FePd
_chemical_formula_sum   'Be2 Fe1 Pd1'
_cell_volume   43.86
_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
  Be  Be0  1  0.0  0.69  0.97  1.0
  Be  Be1  1  0.0  0.77  0.43  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.73  0.7  1.0

Be Be Fe Pd