data_Be2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   3.69
_cell_angle_alpha   117.07
_cell_angle_beta   114.62
_cell_angle_gamma   97.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Pd
_chemical_formula_sum   'Be2 Pd1'
_cell_volume   37.32
_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  0.99  0.19  1.0
  Be  Be1  1  0.92  0.0  0.24  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Be2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   3.69
_cell_angle_alpha   97.38
_cell_angle_beta   114.62
_cell_angle_gamma   117.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Pd
_chemical_formula_sum   'Be2 Pd1'
_cell_volume   37.32
_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  0.76  0.0  0.08  1.0
  Be  Be1  1  0.81  0.01  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

Be Be Pd