data_Nd(Al10Cr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.44
_cell_length_b   10.44
_cell_length_c   10.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(Al10Cr)2
_chemical_formula_sum   'Nd2 Al40 Cr4'
_cell_volume   804.3
_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
  Nd  Nd0  1  0.0  0.0  0.0  1.0
  Nd  Nd1  1  0.69  0.69  0.69  1.0
  Al  Al2  1  0.38  0.38  0.35  1.0
  Al  Al3  1  0.38  0.38  0.41  1.0
  Al  Al4  1  0.38  0.35  0.38  1.0
  Al  Al5  1  0.38  0.41  0.38  1.0
  Al  Al6  1  0.35  0.38  0.38  1.0
  Al  Al7  1  0.41  0.38  0.38  1.0
  Al  Al8  1  0.07  0.07  0.1  1.0
  Al  Al9  1  0.07  0.07  0.04  1.0
  Al  Al10  1  0.07  0.1  0.07  1.0
  Al  Al11  1  0.07  0.04  0.07  1.0
  Al  Al12  1  0.1  0.07  0.07  1.0
  Al  Al13  1  0.04  0.07  0.07  1.0
  Al  Al14  1  0.83  0.43  0.43  1.0
  Al  Al15  1  0.94  0.33  0.43  1.0
  Al  Al16  1  0.94  0.43  0.33  1.0
  Al  Al17  1  0.83  0.33  0.33  1.0
  Al  Al18  1  0.43  0.43  0.83  1.0
  Al  Al19  1  0.33  0.43  0.94  1.0
  Al  Al20  1  0.43  0.33  0.94  1.0
  Al  Al21  1  0.33  0.33  0.83  1.0
  Al  Al22  1  0.43  0.83  0.43  1.0
  Al  Al23  1  0.43  0.94  0.33  1.0
  Al  Al24  1  0.33  0.94  0.43  1.0
  Al  Al25  1  0.33  0.83  0.33  1.0
  Al  Al26  1  0.63  0.64  0.64  1.0
  Al  Al27  1  0.14  0.12  0.64  1.0
  Al  Al28  1  0.14  0.64  0.12  1.0
  Al  Al29  1  0.63  0.12  0.12  1.0
  Al  Al30  1  0.64  0.64  0.63  1.0
  Al  Al31  1  0.12  0.64  0.14  1.0
  Al  Al32  1  0.64  0.12  0.14  1.0
  Al  Al33  1  0.12  0.12  0.63  1.0
  Al  Al34  1  0.64  0.63  0.64  1.0
  Al  Al35  1  0.64  0.14  0.12  1.0
  Al  Al36  1  0.12  0.14  0.64  1.0
  Al  Al37  1  0.12  0.63  0.12  1.0
  Al  Al38  1  0.23  0.54  0.54  1.0
  Al  Al39  1  0.54  0.23  0.54  1.0
  Al  Al40  1  0.54  0.54  0.23  1.0
  Al  Al41  1  0.23  0.23  0.23  1.0
  Cr  Cr42  1  0.85  0.54  0.54  1.0
  Cr  Cr43  1  0.54  0.85  0.54  1.0
  Cr  Cr44  1  0.54  0.54  0.85  1.0
  Cr  Cr45  1  0.85  0.85  0.85  1.0

data_Nd(Al10Cr)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   10.44
_cell_length_b   10.44
_cell_length_c   25.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nd(Al10Cr)2
_chemical_formula_sum   'Nd6 Al120 Cr12'
_cell_volume   2412.91
_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
  Nd  Nd0  3  0.0  0.0  0.0  1.0
  Nd  Nd1  3  0.0  0.0  0.31  1.0
  Al  Al2  18  0.14  0.37  0.43  1.0
  Al  Al3  18  0.16  0.34  0.7  1.0
  Al  Al4  9  0.0  0.5  0.17  1.0
  Al  Al5  9  0.01  0.0  0.36  1.0
  Al  Al6  9  0.01  0.02  0.61  1.0
  Al  Al7  9  0.01  0.02  0.92  1.0
  Al  Al8  9  0.02  0.01  0.94  1.0
  Al  Al9  9  0.02  0.01  0.63  1.0
  Al  Al10  9  0.07  0.53  0.1  1.0
  Al  Al11  9  0.17  0.34  0.71  1.0
  Al  Al12  9  0.21  0.1  0.57  1.0
  Al  Al13  3  0.0  0.0  0.77  1.0
  Cr  Cr14  9  0.1  0.21  0.36  1.0
  Cr  Cr15  3  0.0  0.0  0.15  1.0

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