data_Na5Be24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   7.4
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5Be24
_chemical_formula_sum   'Na5 Be24'
_cell_volume   311.65
_cell_formula_units_Z   1
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  Na24  1  0.49  0.49  0.51  1.0
  Na  Na25  1  0.49  0.51  0.49  1.0
  Na  Na26  1  0.78  0.78  0.78  1.0
  Na  Na27  1  0.51  0.49  0.49  1.0
  Na  Na28  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.07  0.1  0.9  1.0
  Be  Be1  1  0.07  0.9  0.1  1.0
  Be  Be2  1  0.47  0.9  0.9  1.0
  Be  Be3  1  0.2  0.37  0.37  1.0
  Be  Be4  1  0.1  0.07  0.9  1.0
  Be  Be5  1  0.9  0.07  0.1  1.0
  Be  Be6  1  0.37  0.2  0.37  1.0
  Be  Be7  1  0.9  0.47  0.9  1.0
  Be  Be8  1  0.37  0.37  0.2  1.0
  Be  Be9  1  0.9  0.9  0.47  1.0
  Be  Be10  1  0.9  0.1  0.07  1.0
  Be  Be11  1  0.1  0.9  0.07  1.0
  Be  Be12  1  0.96  0.17  0.83  1.0
  Be  Be13  1  0.96  0.83  0.17  1.0
  Be  Be14  1  0.31  0.11  0.11  1.0
  Be  Be15  1  0.58  0.17  0.17  1.0
  Be  Be16  1  0.17  0.96  0.83  1.0
  Be  Be17  1  0.83  0.96  0.17  1.0
  Be  Be18  1  0.17  0.58  0.17  1.0
  Be  Be19  1  0.11  0.31  0.11  1.0
  Be  Be20  1  0.17  0.17  0.58  1.0
  Be  Be21  1  0.11  0.11  0.31  1.0
  Be  Be22  1  0.83  0.17  0.96  1.0
  Be  Be23  1  0.17  0.83  0.96  1.0

data_Na5Be24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.08
_cell_length_b   12.08
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Na5Be24
_chemical_formula_sum   'Na15 Be72'
_cell_volume   934.95
_cell_formula_units_Z   3
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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  0.02  0.01  0.5  1.0
  Na  Na1  3  0.0  0.0  0.0  1.0
  Na  Na2  3  0.0  0.0  0.78  1.0
  Be  Be3  18  0.05  0.12  0.02  1.0
  Be  Be4  18  0.18  0.03  0.99  1.0
  Be  Be5  9  0.05  0.52  0.43  1.0
  Be  Be6  9  0.06  0.11  0.31  1.0
  Be  Be7  9  0.14  0.07  0.17  1.0
  Be  Be8  9  0.19  0.39  0.97  1.0

Na Na Na Na Na Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be