data_BaBeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   38.34
_cell_angle_beta   38.34
_cell_angle_gamma   38.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeAu2
_chemical_formula_sum   'Ba1 Be1 Au2'
_cell_volume   97.27
_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
  Ba  Ba2  1  0.0  0.0  0.96  1.0
  Be  Be3  1  0.0  0.0  0.36  1.0
  Au  Au0  1  0.0  0.0  0.59  1.0
  Au  Au1  1  0.0  0.0  0.37  1.0

data_BaBeAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.45
_cell_length_b   4.3
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   112.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaBeAu2
_chemical_formula_sum   'Ba2 Be2 Au4'
_cell_volume   194.53
_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
  Ba  Ba0  2  0.0  0.0  0.04  1.0
  Be  Be1  2  0.0  0.0  0.64  1.0
  Au  Au2  2  0.0  0.0  0.63  1.0
  Au  Au3  2  0.0  0.0  0.41  1.0

Ba Be Au Au