data_Be3B5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3B5
_chemical_formula_sum   'Be6 B10'
_cell_volume   121.2
_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  Be10  1  0.82  0.05  0.37  1.0
  Be  Be11  1  0.85  0.72  0.79  1.0
  Be  Be12  1  0.15  0.72  0.37  1.0
  Be  Be13  1  0.36  0.0  0.37  1.0
  Be  Be14  1  0.3  0.0  0.79  1.0
  Be  Be15  1  0.18  0.05  0.79  1.0
  B  B0  1  0.33  0.92  0.58  1.0
  B  B1  1  0.0  0.85  0.0  1.0
  B  B2  1  0.0  0.85  0.58  1.0
  B  B3  1  0.33  0.92  0.0  1.0
  B  B4  1  0.21  0.84  0.37  1.0
  B  B5  1  0.46  0.93  0.79  1.0
  B  B6  1  0.54  0.93  0.37  1.0
  B  B7  1  0.59  0.0  0.37  1.0
  B  B8  1  0.07  0.0  0.79  1.0
  B  B9  1  0.79  0.84  0.79  1.0

data_Be3B5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3B5
_chemical_formula_sum   'Be6 B10'
_cell_volume   121.2
_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  0.37  0.15  0.72  1.0
  Be  Be1  1  0.37  0.36  0.0  1.0
  Be  Be2  1  0.37  0.82  0.05  1.0
  Be  Be3  1  0.79  0.18  0.05  1.0
  Be  Be4  1  0.79  0.3  0.0  1.0
  Be  Be5  1  0.79  0.85  0.72  1.0
  B  B6  1  0.0  0.0  0.85  1.0
  B  B7  1  0.0  0.33  0.92  1.0
  B  B8  1  0.37  0.21  0.84  1.0
  B  B9  1  0.37  0.54  0.93  1.0
  B  B10  1  0.37  0.59  0.0  1.0
  B  B11  1  0.58  0.0  0.85  1.0
  B  B12  1  0.58  0.33  0.92  1.0
  B  B13  1  0.79  0.07  0.0  1.0
  B  B14  1  0.79  0.46  0.93  1.0
  B  B15  1  0.79  0.79  0.84  1.0

Be Be Be Be Be Be B B B B B B B B B B