data_BeCdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.22
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdAu2
_chemical_formula_sum   'Be1 Cd1 Au2'
_cell_volume   67.49
_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  Be2  1  0.29  0.0  0.48  1.0
  Cd  Cd3  1  0.83  0.11  0.8  1.0
  Au  Au0  1  0.92  0.0  0.02  1.0
  Au  Au1  1  0.37  0.11  0.46  1.0

data_BeCdAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.22
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdAu2
_chemical_formula_sum   'Be1 Cd1 Au2'
_cell_volume   67.49
_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  0.29  0.0  0.48  1.0
  Cd  Cd1  1  0.83  0.11  0.8  1.0
  Au  Au2  1  0.37  0.11  0.46  1.0
  Au  Au3  1  0.92  0.0  0.02  1.0

Be Cd Au Au