data_Nd6Ga3Fe11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.06
_cell_length_b   13.06
_cell_length_c   13.06
_cell_angle_alpha   143.76
_cell_angle_beta   143.76
_cell_angle_gamma   52.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6Ga3Fe11
_chemical_formula_sum   'Nd12 Ga6 Fe22'
_cell_volume   774.38
_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  0.42  0.36  0.37  1.0
  Nd  Nd1  1  0.7  0.64  0.37  1.0
  Nd  Nd2  1  0.64  0.42  0.37  1.0
  Nd  Nd3  1  0.36  0.7  0.37  1.0
  Nd  Nd4  1  0.62  0.68  0.43  1.0
  Nd  Nd5  1  0.38  0.44  0.43  1.0
  Nd  Nd6  1  0.44  0.62  0.43  1.0
  Nd  Nd7  1  0.68  0.38  0.43  1.0
  Nd  Nd8  1  0.0  0.0  0.2  1.0
  Nd  Nd9  1  0.0  0.0  0.47  1.0
  Nd  Nd10  1  0.0  0.0  0.26  1.0
  Nd  Nd11  1  0.0  0.0  0.99  1.0
  Ga  Ga12  1  0.0  0.0  0.86  1.0
  Ga  Ga13  1  0.0  0.0  0.59  1.0
  Ga  Ga14  1  0.04  0.98  0.24  1.0
  Ga  Ga15  1  0.02  0.08  0.97  1.0
  Ga  Ga16  1  0.08  0.98  0.97  1.0
  Ga  Ga17  1  0.98  0.08  0.24  1.0
  Fe  Fe18  1  0.45  0.51  0.62  1.0
  Fe  Fe19  1  0.61  0.55  0.35  1.0
  Fe  Fe20  1  0.61  0.45  0.62  1.0
  Fe  Fe21  1  0.45  0.61  0.35  1.0
  Fe  Fe22  1  0.64  0.58  0.05  1.0
  Fe  Fe23  1  0.42  0.48  0.31  1.0
  Fe  Fe24  1  0.42  0.64  0.05  1.0
  Fe  Fe25  1  0.64  0.42  0.31  1.0
  Fe  Fe26  1  0.71  0.55  0.72  1.0
  Fe  Fe27  1  0.35  0.51  0.98  1.0
  Fe  Fe28  1  0.41  0.55  0.98  1.0
  Fe  Fe29  1  0.65  0.51  0.72  1.0
  Fe  Fe30  1  0.62  0.35  0.98  1.0
  Fe  Fe31  1  0.45  0.71  0.72  1.0
  Fe  Fe32  1  0.55  0.71  0.98  1.0
  Fe  Fe33  1  0.51  0.35  0.72  1.0
  Fe  Fe34  1  0.06  0.0  0.72  1.0
  Fe  Fe35  1  0.0  0.06  0.72  1.0
  Fe  Fe36  1  0.07  0.14  0.53  1.0
  Fe  Fe37  1  0.99  0.93  0.8  1.0
  Fe  Fe38  1  0.93  0.14  0.8  1.0
  Fe  Fe39  1  0.14  0.93  0.53  1.0

data_Nd6Ga3Fe11
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.12
_cell_length_b   8.12
_cell_length_c   13.06
_cell_angle_alpha   108.12
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6Ga3Fe11
_chemical_formula_sum   'Nd12 Ga6 Fe22'
_cell_volume   774.38
_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  0.01  0.95  0.59  1.0
  Nd  Nd1  1  0.05  0.75  0.37  1.0
  Nd  Nd2  1  0.2  0.2  0.2  1.0
  Nd  Nd3  1  0.26  0.26  0.26  1.0
  Nd  Nd4  1  0.47  0.47  0.47  1.0
  Nd  Nd5  1  0.67  0.01  0.31  1.0
  Nd  Nd6  1  0.73  0.67  0.03  1.0
  Nd  Nd7  1  0.75  0.81  0.13  1.0
  Nd  Nd8  1  0.81  0.99  0.37  1.0
  Nd  Nd9  1  0.95  0.73  0.31  1.0
  Nd  Nd10  1  0.99  0.05  0.61  1.0
  Nd  Nd11  1  0.99  0.99  0.99  1.0
  Ga  Ga12  1  0.16  0.26  0.18  1.0
  Ga  Ga13  1  0.26  0.19  0.21  1.0
  Ga  Ga14  1  0.59  0.59  0.59  1.0
  Ga  Ga15  1  0.86  0.86  0.86  1.0
  Ga  Ga16  1  0.89  0.95  0.87  1.0
  Ga  Ga17  1  0.99  0.89  0.91  1.0
  Fe  Fe18  1  0.01  0.27  0.56  1.0
  Fe  Fe19  1  0.11  0.17  0.66  1.0
  Fe  Fe20  1  0.16  0.01  0.45  1.0
  Fe  Fe21  1  0.17  0.0  0.55  1.0
  Fe  Fe22  1  0.21  0.07  0.56  1.0
  Fe  Fe23  1  0.27  0.43  0.72  1.0
  Fe  Fe24  1  0.36  0.21  0.86  1.0
  Fe  Fe25  1  0.4  0.46  0.32  1.0
  Fe  Fe26  1  0.41  0.62  0.98  1.0
  Fe  Fe27  1  0.43  0.57  0.02  1.0
  Fe  Fe28  1  0.47  0.41  0.83  1.0
  Fe  Fe29  1  0.48  0.63  0.12  1.0
  Fe  Fe30  1  0.61  0.4  0.47  1.0
  Fe  Fe31  1  0.63  0.37  0.02  1.0
  Fe  Fe32  1  0.66  0.72  0.66  1.0
  Fe  Fe33  1  0.66  0.87  0.74  1.0
  Fe  Fe34  1  0.72  0.66  0.66  1.0
  Fe  Fe35  1  0.74  0.9  0.29  1.0
  Fe  Fe36  1  0.8  0.74  0.19  1.0
  Fe  Fe37  1  0.83  0.89  0.41  1.0
  Fe  Fe38  1  0.87  0.81  0.88  1.0
  Fe  Fe39  1  0.89  0.67  0.25  1.0

Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Ga Ga Ga Ga Ga Ga Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe
Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Ga Ga Ga Ga Ga Ga Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe 0 5 o o o 1 4 o o o 1 30 o o - 2 25 o o o 2 7 o o o 3 21 o o o 3 6 o o o 4 19 o o o 5 18 o o o 6 23 o o o 6 21 o o o 8 14 o - o 8 10 o o o 8 17 - o o 9 39 o - o 9 36 o o o 10 14 o - o 10 36 o o o 11 16 o - o 12 37 - - o 12 15 o o o 12 16 o - o 13 35 o o o 13 34 o o o 15 16 o - o 16 37 - o o 18 31 o o o 19 25 o o o 20 29 o o o 20 26 o o o 22 33 o o - 22 32 o o - 22 30 o o - 24 28 o o - 24 30 o o - 26 29 o o o 27 28 o o o 27 30 o o o 28 30 o o o 30 33 o o o 34 35 o o o 35 38 - o o 