data_Be2SiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   3.84
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SiPd
_chemical_formula_sum   'Be2 Si1 Pd1'
_cell_volume   45.38
_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  0.92  0.19  1.0
  Be  Be1  1  0.0  0.0  0.09  1.0
  Si  Si3  1  0.39  0.0  0.76  1.0
  Pd  Pd2  1  0.39  0.92  0.33  1.0

data_Be2SiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.84
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SiPd
_chemical_formula_sum   'Be2 Si1 Pd1'
_cell_volume   45.38
_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  0.0  0.09  1.0
  Be  Be1  1  0.0  0.92  0.19  1.0
  Si  Si2  1  0.39  0.0  0.76  1.0
  Pd  Pd3  1  0.39  0.92  0.33  1.0

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