data_Nd3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   10.03
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Ni
_chemical_formula_sum   'Nd12 Ni4'
_cell_volume   465.83
_cell_formula_units_Z   4
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  0.81  0.66  0.11  1.0
  Nd  Nd1  1  0.26  0.36  0.17  1.0
  Nd  Nd2  1  0.28  0.67  0.45  1.0
  Nd  Nd3  1  0.82  0.37  0.39  1.0
  Nd  Nd4  1  0.28  0.37  0.45  1.0
  Nd  Nd5  1  0.82  0.67  0.39  1.0
  Nd  Nd6  1  0.81  0.36  0.11  1.0
  Nd  Nd7  1  0.26  0.66  0.17  1.0
  Nd  Nd8  1  0.79  0.51  0.65  1.0
  Nd  Nd9  1  0.25  0.51  0.18  1.0
  Nd  Nd10  1  0.29  0.52  0.9  1.0
  Nd  Nd11  1  0.83  0.52  0.38  1.0
  Ni  Ni12  1  0.31  0.51  0.42  1.0
  Ni  Ni13  1  0.77  0.51  0.86  1.0
  Ni  Ni14  1  0.77  0.52  0.14  1.0
  Ni  Ni15  1  0.32  0.52  0.7  1.0

data_Nd3Ni
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.56
_cell_length_b   7.08
_cell_length_c   10.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nd3Ni
_chemical_formula_sum   'Nd12 Ni4'
_cell_volume   465.83
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.1  0.79  0.51  1.0
  Nd  Nd1  2  0.11  0.78  0.66  1.0
  Nd  Nd2  2  0.11  0.78  0.36  1.0
  Nd  Nd3  2  0.17  0.24  0.66  1.0
  Nd  Nd4  2  0.17  0.24  0.36  1.0
  Nd  Nd5  2  0.38  0.75  0.49  1.0
  Ni  Ni6  2  0.14  0.27  0.49  1.0
  Ni  Ni7  2  0.42  0.27  0.51  1.0

Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Ni Ni Ni Ni
Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Ni Ni Ni Ni 0 14 o o o 1 9 o o o 2 7 o o o 2 12 o o o 3 11 o o o 3 6 o o o 4 12 o o o 5 11 o o o 6 14 o o o 7 9 o o o 8 13 o o o 9 12 o o o 10 15 o o o 11 14 o o o 