data_BeAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAu5
_chemical_formula_sum   'Be1 Au5'
_cell_volume   121.56
_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  Be5  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.71  0.56  0.0  1.0
  Au  Au1  1  0.0  0.13  0.0  1.0
  Au  Au2  1  0.65  0.35  0.39  1.0
  Au  Au3  1  0.35  0.35  0.39  1.0
  Au  Au4  1  0.71  0.0  0.39  1.0

data_BeAu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAu5
_chemical_formula_sum   'Be1 Au5'
_cell_volume   121.56
_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
  Au  Au1  1  0.0  -0.0  0.13  1.0
  Au  Au2  1  0.0  0.71  0.56  1.0
  Au  Au3  1  0.39  0.35  0.35  1.0
  Au  Au4  1  0.39  0.65  0.35  1.0
  Au  Au5  1  0.39  0.71  0.0  1.0

Be Au Au Au Au Au