data_Hf2Co3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   5.19
_cell_length_c   13.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Co3Si4
_chemical_formula_sum   'Hf8 Co12 Si16'
_cell_volume   476.92
_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  Hf12  1  0.05  0.4  0.99  1.0
  Hf  Hf13  1  0.05  0.99  0.99  1.0
  Hf  Hf14  1  0.68  0.4  0.84  1.0
  Hf  Hf15  1  0.69  0.99  0.84  1.0
  Hf  Hf16  1  0.05  0.2  0.82  1.0
  Hf  Hf17  1  0.05  0.79  0.82  1.0
  Hf  Hf18  1  0.69  0.2  0.67  1.0
  Hf  Hf19  1  0.68  0.79  0.67  1.0
  Co  Co0  1  0.51  0.56  0.25  1.0
  Co  Co1  1  0.86  0.16  0.25  1.0
  Co  Co2  1  0.37  0.43  0.41  1.0
  Co  Co3  1  0.0  0.03  0.41  1.0
  Co  Co4  1  0.22  0.56  0.58  1.0
  Co  Co5  1  0.87  0.16  0.58  1.0
  Co  Co6  1  0.86  0.03  0.08  1.0
  Co  Co7  1  0.51  0.62  0.08  1.0
  Co  Co8  1  0.0  0.16  0.24  1.0
  Co  Co9  1  0.37  0.76  0.24  1.0
  Co  Co10  1  0.87  0.03  0.41  1.0
  Co  Co11  1  0.22  0.62  0.41  1.0
  Si  Si20  1  0.49  0.47  0.93  1.0
  Si  Si21  1  0.6  0.07  0.93  1.0
  Si  Si22  1  0.71  0.11  0.56  1.0
  Si  Si23  1  0.66  0.7  0.56  1.0
  Si  Si24  1  0.02  0.11  0.27  1.0
  Si  Si25  1  0.07  0.7  0.27  1.0
  Si  Si26  1  0.24  0.47  0.89  1.0
  Si  Si27  1  0.13  0.07  0.89  1.0
  Si  Si28  1  0.6  0.12  0.76  1.0
  Si  Si29  1  0.49  0.72  0.76  1.0
  Si  Si30  1  0.66  0.49  0.39  1.0
  Si  Si31  1  0.71  0.08  0.39  1.0
  Si  Si32  1  0.07  0.49  0.1  1.0
  Si  Si33  1  0.02  0.08  0.1  1.0
  Si  Si34  1  0.13  0.12  0.72  1.0
  Si  Si35  1  0.24  0.72  0.72  1.0

data_Hf2Co3Si4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.19
_cell_length_b   6.73
_cell_length_c   13.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Co3Si4
_chemical_formula_sum   'Hf8 Co12 Si16'
_cell_volume   476.92
_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  Hf0  1  0.01  0.31  0.16  1.0
  Hf  Hf1  1  0.01  0.95  0.01  1.0
  Hf  Hf2  1  0.21  0.32  0.33  1.0
  Hf  Hf3  1  0.21  0.95  0.18  1.0
  Hf  Hf4  1  0.6  0.32  0.16  1.0
  Hf  Hf5  1  0.6  0.95  0.01  1.0
  Hf  Hf6  1  0.8  0.31  0.33  1.0
  Hf  Hf7  1  0.8  0.95  0.18  1.0
  Co  Co8  1  0.24  0.63  0.76  1.0
  Co  Co9  1  0.38  0.49  0.92  1.0
  Co  Co10  1  0.38  0.78  0.59  1.0
  Co  Co11  1  0.44  0.49  0.75  1.0
  Co  Co12  1  0.44  0.78  0.42  1.0
  Co  Co13  1  0.57  0.63  0.59  1.0
  Co  Co14  1  0.84  0.0  0.76  1.0
  Co  Co15  1  0.84  0.13  0.42  1.0
  Co  Co16  1  0.84  0.14  0.75  1.0
  Co  Co17  1  0.97  0.13  0.59  1.0
  Co  Co18  1  0.97  0.14  0.92  1.0
  Co  Co19  1  0.97  0.0  0.59  1.0
  Si  Si20  1  0.28  0.51  0.24  1.0
  Si  Si21  1  0.28  0.76  0.28  1.0
  Si  Si22  1  0.3  0.34  0.44  1.0
  Si  Si23  1  0.3  0.93  0.73  1.0
  Si  Si24  1  0.51  0.34  0.61  1.0
  Si  Si25  1  0.51  0.93  0.9  1.0
  Si  Si26  1  0.53  0.51  0.07  1.0
  Si  Si27  1  0.53  0.76  0.11  1.0
  Si  Si28  1  0.88  0.4  0.24  1.0
  Si  Si29  1  0.88  0.87  0.28  1.0
  Si  Si30  1  0.89  0.29  0.44  1.0
  Si  Si31  1  0.89  0.98  0.73  1.0
  Si  Si32  1  0.92  0.29  0.61  1.0
  Si  Si33  1  0.92  0.98  0.9  1.0
  Si  Si34  1  0.93  0.4  0.07  1.0
  Si  Si35  1  0.93  0.87  0.11  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Co Co Co Co Co Co Co Co Co Co Co Co Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si