data_Na5As24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.13
_cell_length_b   10.13
_cell_length_c   10.13
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5As24
_chemical_formula_sum   'Na5 As24'
_cell_volume   799.39
_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  0.54  0.46  0.54  1.0
  Na  Na25  1  0.46  0.54  0.54  1.0
  Na  Na26  1  0.54  0.54  0.46  1.0
  Na  Na27  1  0.31  0.31  0.31  1.0
  Na  Na28  1  0.0  0.0  0.0  1.0
  As  As0  1  0.87  0.13  0.11  1.0
  As  As1  1  0.13  0.87  0.11  1.0
  As  As2  1  0.87  0.87  0.58  1.0
  As  As3  1  0.98  0.98  0.73  1.0
  As  As4  1  0.87  0.58  0.87  1.0
  As  As5  1  0.98  0.73  0.98  1.0
  As  As6  1  0.13  0.11  0.87  1.0
  As  As7  1  0.87  0.11  0.13  1.0
  As  As8  1  0.11  0.13  0.87  1.0
  As  As9  1  0.11  0.87  0.13  1.0
  As  As10  1  0.73  0.98  0.98  1.0
  As  As11  1  0.58  0.87  0.87  1.0
  As  As12  1  0.78  0.22  0.55  1.0
  As  As13  1  0.22  0.78  0.55  1.0
  As  As14  1  0.62  0.62  0.3  1.0
  As  As15  1  0.22  0.22  0.15  1.0
  As  As16  1  0.62  0.3  0.62  1.0
  As  As17  1  0.22  0.15  0.22  1.0
  As  As18  1  0.22  0.55  0.78  1.0
  As  As19  1  0.78  0.55  0.22  1.0
  As  As20  1  0.55  0.22  0.78  1.0
  As  As21  1  0.55  0.78  0.22  1.0
  As  As22  1  0.15  0.22  0.22  1.0
  As  As23  1  0.3  0.62  0.62  1.0

data_Na5As24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   16.54
_cell_length_b   16.54
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Na5As24
_chemical_formula_sum   'Na15 As72'
_cell_volume   2398.17
_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  0.03  0.05  0.51  1.0
  Na  Na1  3  0.0  0.0  0.0  1.0
  Na  Na2  3  0.0  0.0  0.31  1.0
  As  As3  18  0.03  0.29  0.52  1.0
  As  As4  18  0.08  0.17  0.04  1.0
  As  As5  9  0.03  0.05  0.2  1.0
  As  As6  9  0.08  0.17  0.9  1.0
  As  As7  9  0.1  0.19  0.77  1.0
  As  As8  9  0.11  0.22  0.52  1.0

Na Na Na Na Na As As As As As As As As As As As As As As As As As As As As As As As As