data_Ba5Ag24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51
_cell_length_b   9.51
_cell_length_c   9.51
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Ag24
_chemical_formula_sum   'Ba5 Ag24'
_cell_volume   662.5
_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
  Ba  Ba24  1  0.41  0.59  0.41  1.0
  Ba  Ba25  1  0.59  0.41  0.41  1.0
  Ba  Ba26  1  0.41  0.41  0.59  1.0
  Ba  Ba27  1  0.08  0.08  0.08  1.0
  Ba  Ba28  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.03  0.97  0.12  1.0
  Ag  Ag1  1  0.97  0.03  0.12  1.0
  Ag  Ag2  1  0.03  0.03  0.86  1.0
  Ag  Ag3  1  0.46  0.46  0.37  1.0
  Ag  Ag4  1  0.03  0.86  0.03  1.0
  Ag  Ag5  1  0.46  0.37  0.46  1.0
  Ag  Ag6  1  0.97  0.12  0.03  1.0
  Ag  Ag7  1  0.03  0.12  0.97  1.0
  Ag  Ag8  1  0.12  0.97  0.03  1.0
  Ag  Ag9  1  0.12  0.03  0.97  1.0
  Ag  Ag10  1  0.37  0.46  0.46  1.0
  Ag  Ag11  1  0.86  0.03  0.03  1.0
  Ag  Ag12  1  0.57  0.43  0.83  1.0
  Ag  Ag13  1  0.43  0.57  0.83  1.0
  Ag  Ag14  1  0.06  0.06  0.67  1.0
  Ag  Ag15  1  0.43  0.43  0.16  1.0
  Ag  Ag16  1  0.06  0.67  0.06  1.0
  Ag  Ag17  1  0.43  0.16  0.43  1.0
  Ag  Ag18  1  0.43  0.83  0.57  1.0
  Ag  Ag19  1  0.57  0.83  0.43  1.0
  Ag  Ag20  1  0.83  0.43  0.57  1.0
  Ag  Ag21  1  0.83  0.57  0.43  1.0
  Ag  Ag22  1  0.16  0.43  0.43  1.0
  Ag  Ag23  1  0.67  0.06  0.06  1.0

data_Ba5Ag24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   15.53
_cell_length_b   15.53
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ba5Ag24
_chemical_formula_sum   'Ba15 Ag72'
_cell_volume   1987.51
_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
  Ba  Ba0  9  0.12  0.06  0.47  1.0
  Ba  Ba1  3  0.0  0.0  -0.0  1.0
  Ba  Ba2  3  0.0  0.0  0.08  1.0
  Ag  Ag3  18  0.08  0.01  0.04  1.0
  Ag  Ag4  18  0.16  0.45  0.28  1.0
  Ag  Ag5  9  0.03  0.06  0.43  1.0
  Ag  Ag6  9  0.06  0.11  0.97  1.0
  Ag  Ag7  9  0.07  0.54  0.59  1.0
  Ag  Ag8  9  0.09  0.19  0.34  1.0

Ba Ba Ba Ba Ba Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag
Ba Ba Ba Ba Ba Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag 0 8 o o o 0 15 o o o 0 23 o o o 0 24 o o o 1 10 o o o 1 8 o o o 1 25 o o o 1 26 o o o 2 15 o o o 2 10 o o o 2 17 o o o 2 18 o o o 3 4 o o o 5 6 - + o 5 9 o o o 6 16 o o o 7 12 o o o 7 14 o o o 7 19 o o o 8 15 o o o 8 10 o o o 8 20 o o o 9 13 o o o 9 21 o o o 10 15 o o o 10 22 o o o 11 16 o o o 11 12 + o - 13 14 o + - 15 27 o o o 16 28 o o o 17 18 o o o 23 24 o o o 25 26 o o o 