data_LiBeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79
_cell_length_b   8.79
_cell_length_c   8.79
_cell_angle_alpha   18.99
_cell_angle_beta   18.99
_cell_angle_gamma   18.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeAu2
_chemical_formula_sum   'Li1 Be1 Au2'
_cell_volume   62.84
_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
  Li  Li3  1  0.0  0.0  0.53  1.0
  Be  Be2  1  0.0  0.0  0.05  1.0
  Au  Au0  1  0.0  0.0  0.11  1.0
  Au  Au1  1  0.0  0.0  0.15  1.0

data_LiBeAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   2.9
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   100.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiBeAu2
_chemical_formula_sum   'Li2 Be2 Au4'
_cell_volume   125.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  -0.0  0.0  0.47  1.0
  Be  Be1  2  -0.0  0.0  0.95  1.0
  Au  Au2  2  -0.0  0.0  0.85  1.0
  Au  Au3  2  -0.0  0.0  0.89  1.0

Li Be Au Au