data_Nd2Ni17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Ni17
_chemical_formula_sum   'Nd4 Ni34'
_cell_volume   483.97
_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  0.02  1.0
  Nd  Nd1  1  0.0  0.0  0.05  1.0
  Nd  Nd2  1  0.0  0.81  0.02  1.0
  Nd  Nd3  1  0.16  0.4  0.05  1.0
  Ni  Ni4  1  0.92  0.6  0.03  1.0
  Ni  Ni5  1  0.16  0.0  0.03  1.0
  Ni  Ni6  1  0.0  0.39  0.88  1.0
  Ni  Ni7  1  0.91  0.01  0.15  1.0
  Ni  Ni8  1  0.07  0.2  0.19  1.0
  Ni  Ni9  1  0.23  0.88  0.05  1.0
  Ni  Ni10  1  0.0  0.81  0.23  1.0
  Ni  Ni11  1  0.16  0.4  0.19  1.0
  Ni  Ni12  1  0.25  0.2  0.91  1.0
  Ni  Ni13  1  0.77  0.88  0.05  1.0
  Ni  Ni14  1  0.75  0.37  0.02  1.0
  Ni  Ni15  1  0.0  0.39  0.15  1.0
  Ni  Ni16  1  0.58  0.37  0.02  1.0
  Ni  Ni17  1  0.41  0.84  0.05  1.0
  Ni  Ni18  1  0.91  0.01  0.88  1.0
  Ni  Ni19  1  0.09  0.01  0.88  1.0
  Ni  Ni20  1  0.07  0.2  0.91  1.0
  Ni  Ni21  1  0.09  0.01  0.15  1.0
  Ni  Ni22  1  0.0  0.81  0.87  1.0
  Ni  Ni23  1  0.25  0.2  0.19  1.0
  Ni  Ni24  1  0.08  0.6  0.0  1.0
  Ni  Ni25  1  0.34  0.51  0.02  1.0
  Ni  Ni26  1  0.93  0.33  0.02  1.0
  Ni  Ni27  1  0.16  0.4  0.84  1.0
  Ni  Ni28  1  0.16  0.81  0.19  1.0
  Ni  Ni29  1  0.98  0.51  0.02  1.0
  Ni  Ni30  1  0.82  0.7  0.05  1.0
  Ni  Ni31  1  0.16  0.81  0.91  1.0
  Ni  Ni32  1  0.4  0.33  0.02  1.0
  Ni  Ni33  1  0.16  0.0  0.0  1.0
  Ni  Ni34  1  0.18  0.7  0.05  1.0
  Ni  Ni35  1  0.59  0.84  0.05  1.0
  Ni  Ni36  1  0.08  0.6  0.03  1.0
  Ni  Ni37  1  0.92  0.6  0.0  1.0

data_Nd2Ni17
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.07
_cell_length_b   8.32
_cell_length_c   8.32
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Ni17
_chemical_formula_sum   'Nd4 Ni34'
_cell_volume   483.97
_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  0.02  -0.0  0.81  1.0
  Nd  Nd1  1  0.02  0.0  0.0  1.0
  Nd  Nd2  1  0.05  0.0  0.0  1.0
  Nd  Nd3  1  0.05  0.16  0.4  1.0
  Ni  Ni4  1  0.0  0.08  0.6  1.0
  Ni  Ni5  1  0.0  0.16  0.0  1.0
  Ni  Ni6  1  0.0  0.92  0.6  1.0
  Ni  Ni7  1  0.02  0.34  0.51  1.0
  Ni  Ni8  1  0.02  0.4  0.33  1.0
  Ni  Ni9  1  0.02  0.58  0.37  1.0
  Ni  Ni10  1  0.02  0.75  0.37  1.0
  Ni  Ni11  1  0.02  0.93  0.33  1.0
  Ni  Ni12  1  0.02  0.98  0.51  1.0
  Ni  Ni13  1  0.03  0.08  0.6  1.0
  Ni  Ni14  1  0.03  0.16  0.0  1.0
  Ni  Ni15  1  0.03  0.92  0.6  1.0
  Ni  Ni16  1  0.05  0.18  0.7  1.0
  Ni  Ni17  1  0.05  0.23  0.88  1.0
  Ni  Ni18  1  0.05  0.41  0.84  1.0
  Ni  Ni19  1  0.05  0.59  0.84  1.0
  Ni  Ni20  1  0.05  0.77  0.88  1.0
  Ni  Ni21  1  0.05  0.82  0.7  1.0
  Ni  Ni22  1  0.15  -0.0  0.39  1.0
  Ni  Ni23  1  0.15  0.09  0.01  1.0
  Ni  Ni24  1  0.15  0.91  0.01  1.0
  Ni  Ni25  1  0.19  0.07  0.2  1.0
  Ni  Ni26  1  0.19  0.16  0.81  1.0
  Ni  Ni27  1  0.19  0.25  0.2  1.0
  Ni  Ni28  1  0.19  0.16  0.4  1.0
  Ni  Ni29  1  0.23  -0.0  0.81  1.0
  Ni  Ni30  1  0.84  0.16  0.4  1.0
  Ni  Ni31  1  0.87  -0.0  0.81  1.0
  Ni  Ni32  1  0.88  -0.0  0.39  1.0
  Ni  Ni33  1  0.88  0.09  0.01  1.0
  Ni  Ni34  1  0.88  0.91  0.01  1.0
  Ni  Ni35  1  0.91  0.07  0.2  1.0
  Ni  Ni36  1  0.91  0.16  0.81  1.0
  Ni  Ni37  1  0.91  0.25  0.2  1.0

Nd Nd Nd Nd Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni
Nd Nd Nd Nd Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni 0 1 o o o 0 7 - o o 0 18 - o - 0 19 o o - 0 20 o o - 0 21 o o o 1 7 - o o 1 18 - o - 1 19 o o - 1 20 o o - 1 21 o o o 2 30 - o o 2 37 - o o 2 4 - o o 2 33 o + o 2 31 o o - 2 22 o o - 2 5 o + o 2 10 o o o 3 25 o o o 3 11 o o o 3 15 o o o 3 27 o o - 4 37 o o o 4 14 o o o 4 30 o o o 5 33 o o o 5 9 o - o 5 12 o o - 5 19 o o - 5 21 o o o 6 26 - o + 6 29 - o + 6 27 o o o 7 13 o - o 7 21 + o o 7 8 + o o 8 11 o o o 8 21 o o o 8 23 o o o 9 31 o o - 9 28 o o o 9 33 o + o 9 34 o o o 9 17 o o o 10 21 o + o 10 28 o o o 11 15 o o o 12 19 o o o 12 20 o o o 12 33 o o + 12 32 o o + 13 35 o o o 14 16 o o o 14 26 o o o 14 37 o o o 14 29 o o o 15 26 - o o 15 29 - o o 16 32 o o o 17 34 o o o 17 35 o o o 18 20 + o o 18 19 + o o 19 22 o - o 19 33 o o + 19 20 o o o 20 27 o o o 21 23 o o o 22 31 o o o 24 36 o o o 24 29 - o o 24 34 o o o 26 29 o o o 28 34 o o o 29 36 + o o 30 37 o o o 31 34 o o + 34 36 o o o 