data_BeGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53
_cell_length_b   8.35
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa
_chemical_formula_sum   'Be12 Ga12'
_cell_volume   324.64
_cell_formula_units_Z   12
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  0.43  0.56  0.14  1.0
  Be  Be1  1  0.1  0.79  0.42  1.0
  Be  Be2  1  0.1  0.74  0.14  1.0
  Be  Be3  1  0.43  0.61  0.42  1.0
  Be  Be4  1  0.62  0.34  0.14  1.0
  Be  Be5  1  0.92  0.01  0.42  1.0
  Be  Be6  1  0.92  0.16  0.14  1.0
  Be  Be7  1  0.62  0.19  0.42  1.0
  Be  Be8  1  0.84  0.26  0.0  1.0
  Be  Be9  1  0.7  0.09  0.28  1.0
  Be  Be10  1  0.7  0.09  0.0  1.0
  Be  Be11  1  0.84  0.26  0.28  1.0
  Ga  Ga12  1  0.47  0.0  0.14  1.0
  Ga  Ga13  1  0.06  0.35  0.42  1.0
  Ga  Ga14  1  0.06  0.17  0.14  1.0
  Ga  Ga15  1  0.47  0.17  0.42  1.0
  Ga  Ga16  1  0.06  0.48  0.14  1.0
  Ga  Ga17  1  0.47  0.87  0.42  1.0
  Ga  Ga18  1  0.47  0.31  0.14  1.0
  Ga  Ga19  1  0.06  0.04  0.42  1.0
  Ga  Ga20  1  0.36  0.26  0.0  1.0
  Ga  Ga21  1  0.17  0.09  0.28  1.0
  Ga  Ga22  1  0.17  0.09  0.0  1.0
  Ga  Ga23  1  0.36  0.26  0.28  1.0

data_BeGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   8.35
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa
_chemical_formula_sum   'Be12 Ga12'
_cell_volume   324.64
_cell_formula_units_Z   12
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  0.74  0.16  1.0
  Be  Be1  1  0.0  0.91  0.3  1.0
  Be  Be2  1  0.58  0.21  0.9  1.0
  Be  Be3  1  0.58  0.39  0.57  1.0
  Be  Be4  1  0.58  0.81  0.38  1.0
  Be  Be5  1  0.58  0.99  0.08  1.0
  Be  Be6  1  0.72  0.74  0.16  1.0
  Be  Be7  1  0.72  0.91  0.3  1.0
  Be  Be8  1  0.86  0.26  0.9  1.0
  Be  Be9  1  0.86  0.44  0.57  1.0
  Be  Be10  1  0.86  0.66  0.38  1.0
  Be  Be11  1  0.86  0.84  0.08  1.0
  Ga  Ga12  1  0.0  0.74  0.64  1.0
  Ga  Ga13  1  0.0  0.91  0.83  1.0
  Ga  Ga14  1  0.58  0.13  0.53  1.0
  Ga  Ga15  1  0.58  0.65  0.94  1.0
  Ga  Ga16  1  0.58  0.83  0.53  1.0
  Ga  Ga17  1  0.58  0.96  0.94  1.0
  Ga  Ga18  1  0.72  0.74  0.64  1.0
  Ga  Ga19  1  0.72  0.91  0.83  1.0
  Ga  Ga20  1  0.86  0.52  0.94  1.0
  Ga  Ga21  1  0.86  0.69  0.53  1.0
  Ga  Ga22  1  0.86  0.83  0.94  1.0
  Ga  Ga23  1  0.86  1.0  0.53  1.0

Be Be Be Be Be Be Be Be Be Be Be Be Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga