data_Na2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48
_cell_length_b   9.48
_cell_length_c   9.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Be
_chemical_formula_sum   'Na16 Be8'
_cell_volume   603.34
_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
  Na  Na8  1  0.68  0.03  0.03  1.0
  Na  Na9  1  0.03  0.68  0.03  1.0
  Na  Na10  1  0.68  0.68  0.68  1.0
  Na  Na11  1  0.03  0.03  0.68  1.0
  Na  Na12  1  0.06  0.06  0.42  1.0
  Na  Na13  1  0.7  0.06  0.06  1.0
  Na  Na14  1  0.06  0.7  0.06  1.0
  Na  Na15  1  0.06  0.42  0.06  1.0
  Na  Na16  1  0.42  0.06  0.06  1.0
  Na  Na17  1  0.06  0.06  0.7  1.0
  Na  Na18  1  0.71  0.71  0.35  1.0
  Na  Na19  1  0.07  0.71  0.71  1.0
  Na  Na20  1  0.71  0.07  0.71  1.0
  Na  Na21  1  0.71  0.35  0.71  1.0
  Na  Na22  1  0.35  0.71  0.71  1.0
  Na  Na23  1  0.71  0.71  0.07  1.0
  Be  Be0  1  0.6  0.6  0.11  1.0
  Be  Be1  1  0.11  0.11  0.11  1.0
  Be  Be2  1  0.6  0.11  0.6  1.0
  Be  Be3  1  0.11  0.6  0.6  1.0
  Be  Be4  1  0.46  0.46  0.66  1.0
  Be  Be5  1  0.66  0.66  0.66  1.0
  Be  Be6  1  0.46  0.66  0.46  1.0
  Be  Be7  1  0.66  0.46  0.46  1.0

data_Na2Be
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.48
_cell_length_b   9.48
_cell_length_c   23.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Na2Be
_chemical_formula_sum   'Na48 Be24'
_cell_volume   1810.01
_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
  Na  Na0  9  0.09  0.55  0.49  1.0
  Na  Na1  9  0.09  0.55  0.84  1.0
  Na  Na2  9  0.21  0.43  0.73  1.0
  Na  Na3  9  0.21  0.43  0.08  1.0
  Na  Na4  9  0.22  0.43  0.75  1.0
  Na  Na5  3  0.0  0.0  0.32  1.0
  Be  Be6  9  0.07  0.13  0.47  1.0
  Be  Be7  9  0.17  0.83  0.23  1.0
  Be  Be8  3  0.0  0.0  0.34  1.0
  Be  Be9  3  0.0  0.0  0.89  1.0

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