data_Hf11Ga10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.39
_cell_length_b   10.39
_cell_length_c   10.39
_cell_angle_alpha   120.23
_cell_angle_beta   120.23
_cell_angle_gamma   89.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf11Ga10
_chemical_formula_sum   'Hf22 Ga20'
_cell_volume   789.69
_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
  Hf  Hf20  1  0.18  0.42  0.6  1.0
  Hf  Hf21  1  0.18  0.58  0.6  1.0
  Hf  Hf22  1  0.58  0.18  0.6  1.0
  Hf  Hf23  1  0.42  0.18  0.6  1.0
  Hf  Hf24  1  0.0  0.6  0.77  1.0
  Hf  Hf25  1  0.0  0.76  0.77  1.0
  Hf  Hf26  1  0.6  0.0  0.77  1.0
  Hf  Hf27  1  0.76  0.0  0.77  1.0
  Hf  Hf28  1  0.37  0.37  0.37  1.0
  Hf  Hf29  1  0.81  0.81  0.0  1.0
  Hf  Hf30  1  0.63  0.37  0.37  1.0
  Hf  Hf31  1  0.37  0.63  0.37  1.0
  Hf  Hf32  1  0.0  0.0  0.0  1.0
  Hf  Hf33  1  0.0  0.0  0.74  1.0
  Hf  Hf34  1  0.0  0.45  0.9  1.0
  Hf  Hf35  1  0.18  0.72  0.53  1.0
  Hf  Hf36  1  0.72  0.18  0.53  1.0
  Hf  Hf37  1  0.45  0.0  0.9  1.0
  Hf  Hf38  1  0.0  0.45  0.84  1.0
  Hf  Hf39  1  0.18  0.72  0.47  1.0
  Hf  Hf40  1  0.45  0.0  0.84  1.0
  Hf  Hf41  1  0.72  0.18  0.47  1.0
  Ga  Ga0  1  0.66  0.0  0.0  1.0
  Ga  Ga1  1  0.7  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.66  0.0  1.0
  Ga  Ga3  1  0.0  0.7  0.0  1.0
  Ga  Ga4  1  0.0  0.0  0.16  1.0
  Ga  Ga5  1  0.0  0.0  0.58  1.0
  Ga  Ga6  1  0.32  0.32  0.37  1.0
  Ga  Ga7  1  0.86  0.86  0.0  1.0
  Ga  Ga8  1  0.68  0.32  0.37  1.0
  Ga  Ga9  1  0.32  0.68  0.37  1.0
  Ga  Ga10  1  0.18  0.0  0.69  1.0
  Ga  Ga11  1  0.0  0.18  0.69  1.0
  Ga  Ga12  1  0.14  0.14  0.92  1.0
  Ga  Ga13  1  0.04  0.04  0.55  1.0
  Ga  Ga14  1  0.86  0.14  0.92  1.0
  Ga  Ga15  1  0.14  0.86  0.92  1.0
  Ga  Ga16  1  0.86  0.14  0.82  1.0
  Ga  Ga17  1  0.14  0.86  0.82  1.0
  Ga  Ga18  1  0.14  0.14  0.82  1.0
  Ga  Ga19  1  0.04  0.04  0.45  1.0

data_Hf11Ga10
_symmetry_space_group_name_H-M   Cm
_cell_length_a   14.64
_cell_length_b   14.64
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   134.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf11Ga10
_chemical_formula_sum   'Hf44 Ga40'
_cell_volume   1579.38
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  4  0.0  0.37  0.37  1.0
  Hf  Hf1  4  0.05  0.23  0.57  1.0
  Hf  Hf2  4  0.05  0.23  0.63  1.0
  Hf  Hf3  4  0.12  0.12  0.02  1.0
  Hf  Hf4  4  0.12  0.3  0.84  1.0
  Hf  Hf5  4  0.2  0.2  0.18  1.0
  Hf  Hf6  4  0.2  0.38  0.0  1.0
  Hf  Hf7  4  0.27  0.27  0.39  1.0
  Hf  Hf8  4  0.27  0.27  0.45  1.0
  Hf  Hf9  2  0.0  0.0  0.0  1.0
  Hf  Hf10  2  0.0  0.0  0.74  1.0
  Hf  Hf11  2  0.13  0.5  0.63  1.0
  Hf  Hf12  2  0.19  0.0  0.38  1.0
  Ga  Ga13  4  0.0  0.14  0.82  1.0
  Ga  Ga14  4  0.0  0.32  0.37  1.0
  Ga  Ga15  4  0.0  0.14  0.92  1.0
  Ga  Ga16  4  0.15  0.15  0.3  1.0
  Ga  Ga17  4  0.17  0.17  0.34  1.0
  Ga  Ga18  4  0.41  0.41  0.51  1.0
  Ga  Ga19  2  0.0  0.0  0.16  1.0
  Ga  Ga20  2  0.0  0.0  0.58  1.0
  Ga  Ga21  2  0.14  0.0  0.29  1.0
  Ga  Ga22  2  0.18  0.5  0.73  1.0
  Ga  Ga23  2  0.36  0.5  0.54  1.0
  Ga  Ga24  2  0.36  0.5  0.65  1.0
  Ga  Ga25  2  0.46  0.5  0.37  1.0
  Ga  Ga26  2  0.46  0.5  0.48  1.0

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