data_Cr22Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24
_cell_length_b   9.24
_cell_length_c   9.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr22Rh
_chemical_formula_sum   'Cr44 Rh2'
_cell_volume   557.43
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.71  0.53  0.36  1.0
  Cr  Cr1  1  0.36  0.53  0.71  1.0
  Cr  Cr2  1  0.36  0.54  0.36  1.0
  Cr  Cr3  1  0.71  0.54  0.71  1.0
  Cr  Cr4  1  0.53  0.71  0.36  1.0
  Cr  Cr5  1  0.53  0.36  0.71  1.0
  Cr  Cr6  1  0.54  0.71  0.71  1.0
  Cr  Cr7  1  0.54  0.36  0.36  1.0
  Cr  Cr8  1  0.71  0.71  0.54  1.0
  Cr  Cr9  1  0.36  0.36  0.54  1.0
  Cr  Cr10  1  0.71  0.36  0.53  1.0
  Cr  Cr11  1  0.36  0.71  0.53  1.0
  Cr  Cr12  1  0.97  0.27  0.09  1.0
  Cr  Cr13  1  0.09  0.27  0.97  1.0
  Cr  Cr14  1  0.97  0.79  0.97  1.0
  Cr  Cr15  1  0.09  0.79  0.09  1.0
  Cr  Cr16  1  0.97  0.09  0.27  1.0
  Cr  Cr17  1  0.09  0.97  0.27  1.0
  Cr  Cr18  1  0.09  0.09  0.79  1.0
  Cr  Cr19  1  0.97  0.97  0.79  1.0
  Cr  Cr20  1  0.79  0.09  0.09  1.0
  Cr  Cr21  1  0.79  0.97  0.97  1.0
  Cr  Cr22  1  0.27  0.97  0.09  1.0
  Cr  Cr23  1  0.27  0.09  0.97  1.0
  Cr  Cr24  1  0.7  0.53  0.53  1.0
  Cr  Cr25  1  0.36  0.53  0.53  1.0
  Cr  Cr26  1  0.53  0.53  0.36  1.0
  Cr  Cr27  1  0.53  0.53  0.7  1.0
  Cr  Cr28  1  0.53  0.7  0.53  1.0
  Cr  Cr29  1  0.53  0.36  0.53  1.0
  Cr  Cr30  1  0.8  0.8  0.63  1.0
  Cr  Cr31  1  0.8  0.8  0.97  1.0
  Cr  Cr32  1  0.97  0.8  0.8  1.0
  Cr  Cr33  1  0.63  0.8  0.8  1.0
  Cr  Cr34  1  0.8  0.63  0.8  1.0
  Cr  Cr35  1  0.8  0.97  0.8  1.0
  Cr  Cr36  1  0.9  0.9  0.63  1.0
  Cr  Cr37  1  0.63  0.9  0.9  1.0
  Cr  Cr38  1  0.63  0.63  0.63  1.0
  Cr  Cr39  1  0.9  0.63  0.9  1.0
  Cr  Cr40  1  0.9  0.9  0.17  1.0
  Cr  Cr41  1  0.17  0.9  0.9  1.0
  Cr  Cr42  1  0.17  0.17  0.17  1.0
  Cr  Cr43  1  0.9  0.17  0.9  1.0
  Rh  Rh44  1  0.0  0.0  0.0  1.0
  Rh  Rh45  1  0.27  0.27  0.27  1.0

data_Cr22Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.24
_cell_length_b   9.24
_cell_length_c   22.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr22Rh
_chemical_formula_sum   'Cr132 Rh6'
_cell_volume   1672.3
_cell_formula_units_Z   6
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
  Cr  Cr0  18  0.0  0.83  0.47  1.0
  Cr  Cr1  18  0.02  0.16  0.89  1.0
  Cr  Cr2  9  0.06  0.11  0.15  1.0
  Cr  Cr3  9  0.06  0.11  0.41  1.0
  Cr  Cr4  9  0.06  0.12  0.58  1.0
  Cr  Cr5  9  0.09  0.18  0.01  1.0
  Cr  Cr6  9  0.11  0.06  0.35  1.0
  Cr  Cr7  9  0.11  0.06  0.52  1.0
  Cr  Cr8  9  0.11  0.06  0.26  1.0
  Cr  Cr9  9  0.12  0.06  0.09  1.0
  Cr  Cr10  9  0.18  0.09  0.19  1.0
  Cr  Cr11  9  0.2  0.1  0.01  1.0
  Cr  Cr12  3  0.0  0.0  0.37  1.0
  Cr  Cr13  3  0.0  0.0  0.83  1.0
  Rh  Rh14  3  0.0  0.0  0.0  1.0
  Rh  Rh15  3  0.0  0.0  0.73  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Rh Rh
Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Rh Rh 0 10 o o o 0 26 o o o 0 24 o o o 0 4 o o o 1 5 o o o 1 25 o o o 1 11 o o o 1 27 o o o 2 9 o o o 2 26 o o o 2 25 o o o 2 7 o o o 3 38 o o o 3 24 o o o 3 27 o o o 4 26 o o o 4 11 o o o 4 28 o o o 5 29 o o o 5 10 o o o 5 27 o o o 6 38 o o o 6 27 o o o 6 28 o o o 7 29 o o o 7 9 o o o 7 26 o o o 8 38 o o o 8 24 o o o 8 28 o o o 9 29 o o o 9 25 o o o 10 29 o o o 10 24 o o o 11 25 o o o 11 28 o o o 12 13 + o - 12 42 + o o 13 42 o o + 14 32 o o o 14 31 o o o 14 21 o o o 14 19 o o o 14 15 + o + 15 44 o + o 15 40 - o o 15 41 o o - 16 17 + - o 16 42 + o o 17 42 o + o 18 44 o o + 18 43 - o o 18 41 o - o 18 19 - - o 19 35 o o o 19 32 o o o 19 21 o o o 20 44 + o o 20 40 o - o 20 43 o o - 20 21 o - - 21 31 o o o 21 35 o o o 22 23 o + - 22 42 o + o 23 42 o o + 24 38 o o o 24 28 o o o 24 27 o o o 25 29 o o o 25 26 o o o 26 29 o o o 27 28 o o o 27 38 o o o 28 38 o o o 30 34 o o o 30 33 o o o 30 36 o o o 31 37 o o o 31 39 o o o 31 35 o o o 31 32 o o o 32 39 o o o 32 36 o o o 32 35 o o o 33 34 o o o 33 37 o o o 34 39 o o o 35 37 o o o 35 36 o o o 40 44 + + o 41 44 o + + 42 45 o o o 43 44 + o + 