data_BePd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.51
_cell_angle_alpha   115.57
_cell_angle_beta   115.57
_cell_angle_gamma   32.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePd2Au
_chemical_formula_sum   'Be1 Pd2 Au1'
_cell_volume   57.38
_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  Be1  1  0.91  0.0  0.84  1.0
  Pd  Pd2  1  0.33  0.0  0.23  1.0
  Pd  Pd3  1  0.92  0.0  0.07  1.0
  Au  Au0  1  0.55  0.0  0.9  1.0

data_BePd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.51
_cell_length_c   5.13
_cell_angle_alpha   115.57
_cell_angle_beta   106.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePd2Au
_chemical_formula_sum   'Be1 Pd2 Au1'
_cell_volume   57.38
_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  0.84  0.91  1.0
  Pd  Pd1  1  0.0  0.07  0.92  1.0
  Pd  Pd2  1  0.0  0.23  0.33  1.0
  Au  Au3  1  0.0  0.9  0.55  1.0

Be Pd Pd Au