data_Be2BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   3.42
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   95.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BPd
_chemical_formula_sum   'Be2 B1 Pd1'
_cell_volume   38.85
_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  0.92  0.71  0.15  1.0
  Be  Be2  1  0.34  0.0  0.99  1.0
  B  B0  1  0.34  0.0  0.2  1.0
  Pd  Pd3  1  0.15  0.71  0.18  1.0

data_Be2BPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   3.42
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   95.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BPd
_chemical_formula_sum   'Be2 B1 Pd1'
_cell_volume   38.85
_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  0.34  0.0  0.99  1.0
  Be  Be1  1  0.92  0.71  0.15  1.0
  B  B2  1  0.34  0.0  0.2  1.0
  Pd  Pd3  1  0.15  0.71  0.18  1.0

Be Be B Pd