data_Be2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31
_cell_length_b   8.31
_cell_length_c   8.31
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Sb
_chemical_formula_sum   'Be16 Sb8'
_cell_volume   405.92
_cell_formula_units_Z   8
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  0.47  0.41  0.41  1.0
  Be  Be1  1  0.41  0.47  0.41  1.0
  Be  Be2  1  0.47  0.47  0.47  1.0
  Be  Be3  1  0.41  0.41  0.47  1.0
  Be  Be4  1  0.94  0.94  0.68  1.0
  Be  Be5  1  0.2  0.94  0.94  1.0
  Be  Be6  1  0.94  0.2  0.94  1.0
  Be  Be7  1  0.94  0.68  0.94  1.0
  Be  Be8  1  0.68  0.94  0.94  1.0
  Be  Be9  1  0.94  0.94  0.2  1.0
  Be  Be10  1  0.88  0.88  0.01  1.0
  Be  Be11  1  0.74  0.88  0.88  1.0
  Be  Be12  1  0.88  0.74  0.88  1.0
  Be  Be13  1  0.88  0.01  0.88  1.0
  Be  Be14  1  0.01  0.88  0.88  1.0
  Be  Be15  1  0.88  0.88  0.74  1.0
  Sb  Sb16  1  0.22  0.22  0.53  1.0
  Sb  Sb17  1  0.53  0.53  0.53  1.0
  Sb  Sb18  1  0.22  0.53  0.22  1.0
  Sb  Sb19  1  0.53  0.22  0.22  1.0
  Sb  Sb20  1  0.47  0.47  0.16  1.0
  Sb  Sb21  1  0.16  0.16  0.16  1.0
  Sb  Sb22  1  0.47  0.16  0.47  1.0
  Sb  Sb23  1  0.16  0.47  0.47  1.0

data_Be2Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.31
_cell_length_b   8.31
_cell_length_c   20.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Be2Sb
_chemical_formula_sum   'Be48 Sb24'
_cell_volume   1217.75
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.02  0.04  0.57  1.0
  Be  Be1  9  0.05  0.95  0.08  1.0
  Be  Be2  9  0.09  0.17  0.97  1.0
  Be  Be3  9  0.09  0.05  0.17  1.0
  Be  Be4  9  0.17  0.09  0.15  1.0
  Be  Be5  3  0.0  0.0  0.53  1.0
  Sb  Sb6  9  0.1  0.2  0.67  1.0
  Sb  Sb7  9  0.2  0.1  0.63  1.0
  Sb  Sb8  3  0.0  0.0  0.47  1.0
  Sb  Sb9  3  0.0  0.0  0.84  1.0

Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Sb Sb Sb Sb Sb Sb Sb Sb
Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Sb Sb Sb Sb Sb Sb Sb Sb 0 3 o o o 0 1 o o o 0 2 o o o 0 20 o o o 0 22 o o o 1 3 o o o 1 2 o o o 1 20 o o o 1 23 o o o 2 3 o o o 2 17 o o o 3 22 o o o 3 23 o o o 4 15 o o o 4 21 + + o 5 14 o o o 5 6 - + o 5 9 - o + 5 21 o + + 6 13 o o o 6 9 o - + 6 21 + o + 7 12 o o o 7 21 + o + 8 11 o o o 8 21 o + + 9 10 o o o 9 21 + + o 10 14 + o - 10 13 o + - 13 14 + - o 16 22 o o o 16 23 o o o 16 21 o o o 18 23 o o o 18 20 o o o 18 21 o o o 19 22 o o o 19 20 o o o 19 21 o o o 