data_Nd2Fe15Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   82.68
_cell_angle_beta   82.68
_cell_angle_gamma   82.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Fe15Co2
_chemical_formula_sum   'Nd2 Fe15 Co2'
_cell_volume   258.38
_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
  Nd  Nd17  1  0.0  0.0  0.25  1.0
  Nd  Nd18  1  0.0  0.0  0.2  1.0
  Fe  Fe2  1  0.99  0.32  0.15  1.0
  Fe  Fe3  1  0.77  0.23  0.15  1.0
  Fe  Fe4  1  0.86  0.77  0.11  1.0
  Fe  Fe5  1  0.22  0.45  0.15  1.0
  Fe  Fe6  1  0.23  0.23  0.15  1.0
  Fe  Fe7  1  0.86  0.23  0.34  1.0
  Fe  Fe8  1  0.0  0.53  0.34  1.0
  Fe  Fe9  1  0.12  0.22  0.08  1.0
  Fe  Fe10  1  0.0  0.47  0.11  1.0
  Fe  Fe11  1  0.14  0.77  0.11  1.0
  Fe  Fe12  1  0.78  0.45  0.15  1.0
  Fe  Fe13  1  0.01  0.32  0.15  1.0
  Fe  Fe14  1  0.14  0.23  0.34  1.0
  Fe  Fe15  1  0.88  0.22  0.08  1.0
  Fe  Fe16  1  0.0  0.55  0.08  1.0
  Co  Co0  1  0.0  0.0  0.16  1.0
  Co  Co1  1  0.0  0.0  0.29  1.0

data_Nd2Fe15Co2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   82.68
_cell_angle_beta   82.68
_cell_angle_gamma   82.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Fe15Co2
_chemical_formula_sum   'Nd2 Fe15 Co2'
_cell_volume   258.38
_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
  Nd  Nd0  1  0.0  0.0  0.75  1.0
  Nd  Nd1  1  0.0  0.0  0.8  1.0
  Fe  Fe2  1  0.23  0.14  0.89  1.0
  Fe  Fe3  1  0.23  0.86  0.89  1.0
  Fe  Fe4  1  0.45  0.0  0.92  1.0
  Fe  Fe5  1  0.47  0.0  0.66  1.0
  Fe  Fe6  1  0.53  -0.0  0.89  1.0
  Fe  Fe7  1  0.55  0.22  0.85  1.0
  Fe  Fe8  1  0.55  0.78  0.85  1.0
  Fe  Fe9  1  0.68  0.01  0.85  1.0
  Fe  Fe10  1  0.68  0.99  0.85  1.0
  Fe  Fe11  1  0.77  0.14  0.66  1.0
  Fe  Fe12  1  0.77  0.86  0.66  1.0
  Fe  Fe13  1  0.77  0.23  0.85  1.0
  Fe  Fe14  1  0.77  0.77  0.85  1.0
  Fe  Fe15  1  0.78  0.12  0.92  1.0
  Fe  Fe16  1  0.78  0.88  0.92  1.0
  Co  Co17  1  0.0  0.0  0.71  1.0
  Co  Co18  1  0.0  0.0  0.84  1.0

Nd Nd Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Co Co
Nd Nd Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Co Co 0 18 o o o 0 7 - o o 0 11 o - o 1 17 o o o 1 4 - - o 1 11 o - o 2 13 + o o 2 5 + o o 2 7 o o o 2 8 + o o 2 9 + o o 2 12 o o o 3 15 o o o 3 7 o o o 3 12 o o o 4 16 + o o 4 10 + o o 4 17 + + o 4 11 + o o 5 13 o o o 5 6 o o o 5 16 o o o 5 10 o o o 5 8 o o o 5 11 o o o 6 9 o o o 6 14 o o o 7 12 o o o 7 18 + o o 7 15 o o o 7 13 + o o 7 14 + o o 8 13 o o o 8 10 o o o 8 14 o o o 8 16 o o o 9 13 o o o 10 16 o o o 10 12 - o o 11 16 o o o 11 18 o + o 11 17 o + o 12 15 o o o 12 13 + o o 12 16 + o o 13 14 o o o 