data_Be2AlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   32.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlPd
_chemical_formula_sum   'Be2 Al1 Pd1'
_cell_volume   46.46
_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  Be1  1  0.88  0.0  0.45  1.0
  Be  Be2  1  0.0  0.0  0.54  1.0
  Al  Al0  1  0.0  0.0  0.84  1.0
  Pd  Pd3  1  0.88  0.0  0.92  1.0

data_Be2AlPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   3.76
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlPd
_chemical_formula_sum   'Be2 Al1 Pd1'
_cell_volume   46.46
_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  0.46  0.0  0.46  1.0
  Be  Be1  1  0.55  0.88  0.55  1.0
  Al  Al2  1  0.16  0.0  0.16  1.0
  Pd  Pd3  1  0.08  0.88  0.08  1.0

Be Be Al Pd
Be Be Al Pd 0 1 + o o 2 3 - o o 