data_Hf6Ga7Ni16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22
_cell_length_b   8.22
_cell_length_c   8.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf6Ga7Ni16
_chemical_formula_sum   'Hf6 Ga7 Ni16'
_cell_volume   392.67
_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
  Hf  Hf7  1  0.81  0.42  0.81  1.0
  Hf  Hf8  1  0.81  0.2  0.81  1.0
  Hf  Hf9  1  0.81  0.81  0.42  1.0
  Hf  Hf10  1  0.81  0.81  0.2  1.0
  Hf  Hf11  1  0.42  0.81  0.81  1.0
  Hf  Hf12  1  0.2  0.81  0.81  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.91  0.0  0.91  1.0
  Ga  Ga2  1  0.91  0.81  0.91  1.0
  Ga  Ga3  1  0.91  0.91  0.0  1.0
  Ga  Ga4  1  0.91  0.91  0.81  1.0
  Ga  Ga5  1  0.0  0.91  0.91  1.0
  Ga  Ga6  1  0.81  0.91  0.91  1.0
  Ni  Ni13  1  0.4  0.4  0.4  1.0
  Ni  Ni14  1  0.4  0.41  0.41  1.0
  Ni  Ni15  1  0.41  0.41  0.4  1.0
  Ni  Ni16  1  0.41  0.4  0.41  1.0
  Ni  Ni17  1  0.23  0.21  0.21  1.0
  Ni  Ni18  1  0.23  0.23  0.23  1.0
  Ni  Ni19  1  0.21  0.21  0.23  1.0
  Ni  Ni20  1  0.21  0.23  0.21  1.0
  Ni  Ni21  1  0.87  0.87  0.87  1.0
  Ni  Ni22  1  0.87  0.95  0.95  1.0
  Ni  Ni23  1  0.95  0.95  0.87  1.0
  Ni  Ni24  1  0.95  0.87  0.95  1.0
  Ni  Ni25  1  0.76  0.68  0.68  1.0
  Ni  Ni26  1  0.76  0.76  0.76  1.0
  Ni  Ni27  1  0.68  0.68  0.76  1.0
  Ni  Ni28  1  0.68  0.76  0.68  1.0

data_Hf6Ga7Ni16
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.22
_cell_length_b   8.22
_cell_length_c   20.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hf6Ga7Ni16
_chemical_formula_sum   'Hf18 Ga21 Ni48'
_cell_volume   1178.01
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.07  0.54  0.72  1.0
  Hf  Hf1  9  0.2  0.41  0.98  1.0
  Ga  Ga2  9  0.03  0.06  0.06  1.0
  Ga  Ga3  9  0.06  0.03  0.13  1.0
  Ga  Ga4  3  0.0  0.0  0.0  1.0
  Ni  Ni5  9  0.01  0.01  0.78  1.0
  Ni  Ni6  9  0.01  0.01  0.59  1.0
  Ni  Ni7  9  0.03  0.05  0.3  1.0
  Ni  Ni8  9  0.05  0.03  0.08  1.0
  Ni  Ni9  3  0.0  0.0  0.13  1.0
  Ni  Ni10  3  0.0  0.0  0.24  1.0
  Ni  Ni11  3  0.0  0.0  0.6  1.0
  Ni  Ni12  3  0.0  0.0  0.77  1.0

Hf Hf Hf Hf Hf Hf Ga Ga Ga Ga Ga Ga Ga Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni