data_BeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   45.72
_cell_angle_beta   45.72
_cell_angle_gamma   45.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAu
_chemical_formula_sum   'Be2 Au2'
_cell_volume   56.24
_cell_formula_units_Z   2
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  0.0  0.0  0.01  1.0
  Be  Be3  1  0.0  0.0  0.23  1.0
  Au  Au0  1  0.0  0.0  0.35  1.0
  Au  Au1  1  0.0  0.0  0.88  1.0

data_BeAu
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.64
_cell_length_b   3.84
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   116.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   BeAu
_chemical_formula_sum   'Be4 Au4'
_cell_volume   112.48
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.0  0.0  0.11  1.0
  Au  Au1  4  -0.0  0.0  0.24  1.0

Be Be Au Au