data_Ag12P17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95
_cell_length_b   8.95
_cell_length_c   8.95
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag12P17
_chemical_formula_sum   'Ag12 P17'
_cell_volume   552.48
_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
  Ag  Ag0  1  0.7  0.51  0.7  1.0
  Ag  Ag1  1  0.46  0.67  0.46  1.0
  Ag  Ag2  1  0.54  0.66  0.46  1.0
  Ag  Ag3  1  0.46  0.66  0.54  1.0
  Ag  Ag4  1  0.54  0.46  0.66  1.0
  Ag  Ag5  1  0.46  0.54  0.66  1.0
  Ag  Ag6  1  0.46  0.46  0.67  1.0
  Ag  Ag7  1  0.7  0.7  0.51  1.0
  Ag  Ag8  1  0.66  0.46  0.54  1.0
  Ag  Ag9  1  0.66  0.54  0.46  1.0
  Ag  Ag10  1  0.51  0.7  0.7  1.0
  Ag  Ag11  1  0.67  0.46  0.46  1.0
  P  P12  1  0.08  0.86  0.08  1.0
  P  P13  1  0.09  0.69  0.09  1.0
  P  P14  1  0.08  0.48  0.92  1.0
  P  P15  1  0.92  0.48  0.08  1.0
  P  P16  1  0.08  0.92  0.48  1.0
  P  P17  1  0.92  0.08  0.48  1.0
  P  P18  1  0.09  0.09  0.69  1.0
  P  P19  1  0.08  0.08  0.86  1.0
  P  P20  1  0.48  0.92  0.08  1.0
  P  P21  1  0.48  0.08  0.92  1.0
  P  P22  1  0.86  0.08  0.08  1.0
  P  P23  1  0.69  0.09  0.09  1.0
  P  P24  1  0.35  0.65  0.35  1.0
  P  P25  1  0.82  0.82  0.82  1.0
  P  P26  1  0.35  0.35  0.65  1.0
  P  P27  1  0.65  0.35  0.35  1.0
  P  P28  1  0.0  0.0  0.0  1.0

data_Ag12P17
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.62
_cell_length_b   14.62
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ag12P17
_chemical_formula_sum   'Ag36 P51'
_cell_volume   1657.44
_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
  Ag  Ag0  18  0.11  0.02  0.55  1.0
  Ag  Ag1  9  0.07  0.13  0.64  1.0
  Ag  Ag2  9  0.14  0.07  0.53  1.0
  P  P3  18  0.1  0.35  0.83  1.0
  P  P4  9  0.07  0.53  0.63  1.0
  P  P5  9  0.07  0.14  0.01  1.0
  P  P6  9  0.21  0.1  0.45  1.0
  P  P7  3  0.0  0.0  0.0  1.0
  P  P8  3  0.0  0.0  0.82  1.0

Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag P P P P P P P P P P P P P P P P P