data_BePb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePb2Au
_chemical_formula_sum   'Be1 Pb2 Au1'
_cell_volume   92.75
_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  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.7  0.91  0.79  1.0
  Pb  Pb3  1  0.7  0.09  0.79  1.0
  Au  Au0  1  0.4  0.0  0.0  1.0

data_BePb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   96.61
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePb2Au
_chemical_formula_sum   'Be1 Pb2 Au1'
_cell_volume   92.75
_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  0.0  1.0
  Pb  Pb1  1  0.79  0.7  0.09  1.0
  Pb  Pb2  1  0.79  0.7  0.91  1.0
  Au  Au3  1  0.0  0.4  0.0  1.0

Be Pb Pb Au