data_HfCo6Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   10.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo6Si
_chemical_formula_sum   'Hf4 Co24 Si4'
_cell_volume   371.77
_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
  Hf  Hf24  1  0.49  0.55  0.15  1.0
  Hf  Hf25  1  0.49  0.45  0.15  1.0
  Hf  Hf26  1  0.49  0.0  0.75  1.0
  Hf  Hf27  1  0.49  0.0  0.55  1.0
  Co  Co0  1  0.49  0.39  0.84  1.0
  Co  Co1  1  0.63  0.66  0.09  1.0
  Co  Co2  1  0.35  0.34  0.09  1.0
  Co  Co3  1  0.49  0.61  0.84  1.0
  Co  Co4  1  0.35  0.66  0.09  1.0
  Co  Co5  1  0.63  0.34  0.09  1.0
  Co  Co6  1  0.0  0.0  0.15  1.0
  Co  Co7  1  0.39  0.25  0.52  1.0
  Co  Co8  1  0.39  0.75  0.52  1.0
  Co  Co9  1  0.49  0.39  0.45  1.0
  Co  Co10  1  0.6  0.75  0.77  1.0
  Co  Co11  1  0.39  0.25  0.77  1.0
  Co  Co12  1  0.49  0.61  0.45  1.0
  Co  Co13  1  0.39  0.75  0.77  1.0
  Co  Co14  1  0.6  0.25  0.77  1.0
  Co  Co15  1  0.0  0.0  0.0  1.0
  Co  Co16  1  0.35  0.34  0.21  1.0
  Co  Co17  1  0.35  0.66  0.21  1.0
  Co  Co18  1  0.49  0.0  0.15  1.0
  Co  Co19  1  0.6  0.25  0.52  1.0
  Co  Co20  1  0.6  0.75  0.52  1.0
  Co  Co21  1  0.49  0.0  0.0  1.0
  Co  Co22  1  0.63  0.34  0.21  1.0
  Co  Co23  1  0.63  0.66  0.21  1.0
  Si  Si28  1  0.49  0.64  0.0  1.0
  Si  Si29  1  0.49  0.36  0.0  1.0
  Si  Si30  1  0.0  0.0  0.84  1.0
  Si  Si31  1  0.0  0.0  0.45  1.0

data_HfCo6Si
_symmetry_space_group_name_H-M   P2
_cell_length_a   6.24
_cell_length_b   10.29
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   111.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   HfCo6Si
_chemical_formula_sum   'Hf4 Co24 Si4'
_cell_volume   371.77
_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
  Hf  Hf0  2  0.0  0.85  0.45  1.0
  Hf  Hf1  1  0.0  0.25  0.0  1.0
  Hf  Hf2  1  0.0  0.45  0.0  1.0
  Co  Co3  2  0.0  0.16  0.39  1.0
  Co  Co4  2  0.0  0.55  0.39  1.0
  Co  Co5  2  0.11  0.23  0.25  1.0
  Co  Co6  2  0.11  0.48  0.25  1.0
  Co  Co7  2  0.11  0.48  0.75  1.0
  Co  Co8  2  0.11  0.23  0.75  1.0
  Co  Co9  2  0.14  0.91  0.66  1.0
  Co  Co10  2  0.14  0.79  0.34  1.0
  Co  Co11  2  0.14  0.79  0.66  1.0
  Co  Co12  2  0.14  0.91  0.34  1.0
  Co  Co13  1  0.0  0.0  0.0  1.0
  Co  Co14  1  0.0  0.85  0.0  1.0
  Co  Co15  1  0.5  0.0  0.0  1.0
  Co  Co16  1  0.5  0.85  0.0  1.0
  Si  Si17  2  0.0  0.0  0.36  1.0
  Si  Si18  1  0.5  0.16  0.0  1.0
  Si  Si19  1  0.5  0.55  0.0  1.0

Hf Hf Hf Hf Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Si Si Si Si
Hf Hf Hf Hf Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Si Si Si Si 0 1 o o o 0 5 o o o 0 8 o o o 0 21 o o o 0 27 o o o 1 6 o o o 1 9 o o o 1 20 o o o 1 26 o o o 2 17 o - o 2 18 o o o 3 12 o - o 3 23 o o o 4 15 o o o 4 7 o o o 4 18 o o o 5 28 o o o 5 27 o o o 6 29 o o o 6 20 o o o 7 14 o o o 7 17 o o o 8 28 o o o 8 21 o o o 9 29 o o o 9 26 o o o 10 19 o o o 11 13 o o o 11 23 o o o 11 31 o o o 12 16 o o o 12 24 o o o 13 16 o o o 13 23 o o o 14 17 o o o 15 18 o o o 16 24 o o o 19 30 o o - 22 25 o o o 24 31 + + o 