data_Be3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   3.81
_cell_length_c   7.22
_cell_angle_alpha   64.81
_cell_angle_beta   31.6
_cell_angle_gamma   83.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3B2
_chemical_formula_sum   'Be6 B4'
_cell_volume   72.71
_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  Be4  1  0.3  0.94  0.42  1.0
  Be  Be5  1  0.54  0.77  0.42  1.0
  Be  Be6  1  0.01  0.95  0.25  1.0
  Be  Be7  1  0.25  0.12  0.25  1.0
  Be  Be8  1  0.42  0.36  0.07  1.0
  Be  Be9  1  0.71  0.18  0.56  1.0
  B  B0  1  0.98  0.97  0.07  1.0
  B  B1  1  0.85  0.74  0.07  1.0
  B  B2  1  0.27  0.92  0.23  1.0
  B  B3  1  0.56  0.79  0.23  1.0

data_Be3B2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.81
_cell_length_c   6.57
_cell_angle_alpha   83.58
_cell_angle_beta   75.26
_cell_angle_gamma   63.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3B2
_chemical_formula_sum   'Be6 B4'
_cell_volume   72.71
_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  Be0  1  0.44  0.74  0.27  1.0
  Be  Be1  1  0.58  0.19  0.96  1.0
  Be  Be2  1  0.58  0.36  0.72  1.0
  Be  Be3  1  0.75  0.2  0.26  1.0
  Be  Be4  1  0.75  0.38  0.51  1.0
  Be  Be5  1  0.93  0.42  0.49  1.0
  B  B6  1  0.77  0.02  0.79  1.0
  B  B7  1  0.77  0.15  0.5  1.0
  B  B8  1  0.93  0.04  0.05  1.0
  B  B9  1  0.93  0.81  0.92  1.0

Be Be Be Be Be Be B B B B