data_BeBiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   142.55
_cell_angle_beta   122.76
_cell_angle_gamma   70.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiAu2
_chemical_formula_sum   'Be1 Bi1 Au2'
_cell_volume   78.31
_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  Be2  1  0.0  0.0  0.68  1.0
  Bi  Bi3  1  0.73  0.0  0.47  1.0
  Au  Au0  1  0.0  0.0  0.64  1.0
  Au  Au1  1  0.0  0.58  0.79  1.0

data_BeBiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.16
_cell_length_c   5.38
_cell_angle_alpha   118.62
_cell_angle_beta   108.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiAu2
_chemical_formula_sum   'Be1 Bi1 Au2'
_cell_volume   78.31
_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  0.68  0.68  1.0
  Bi  Bi1  1  0.0  0.47  0.74  1.0
  Au  Au2  1  0.0  0.64  0.64  1.0
  Au  Au3  1  0.42  0.21  0.21  1.0

Be Bi Au Au
Be Bi Au Au 0 2 o o o 0 1 - o o 0 3 o - o 0 3 o o o 1 2 + o o 1 3 + o o 2 3 o - o 2 3 o - - 2 3 o o o 