data_Be2SiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   21.27
_cell_angle_beta   21.27
_cell_angle_gamma   21.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SiAu
_chemical_formula_sum   'Be2 Si1 Au1'
_cell_volume   51.1
_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  0.69  1.0
  Be  Be2  1  0.0  0.0  0.66  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.17  1.0

data_Be2SiAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   2.81
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   102.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2SiAu
_chemical_formula_sum   'Be4 Si2 Au2'
_cell_volume   102.19
_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
  Be  Be0  2  0.0  0.0  0.31  1.0
  Be  Be1  2  0.0  0.0  0.34  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.83  1.0

Be Be Si Au
Be Be Si Au 0 1 o o o 2 3 o o o 