data_Hf2(CoSi)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   11.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   152.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2(CoSi)3
_chemical_formula_sum   'Hf4 Co6 Si6'
_cell_volume   228.26
_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  Hf6  1  0.53  0.21  0.4  1.0
  Hf  Hf7  1  0.53  0.79  0.49  1.0
  Hf  Hf8  1  0.53  0.21  0.33  1.0
  Hf  Hf9  1  0.53  0.79  0.42  1.0
  Co  Co0  1  0.53  0.78  0.74  1.0
  Co  Co1  1  0.53  0.22  0.65  1.0
  Co  Co2  1  0.53  0.78  0.17  1.0
  Co  Co3  1  0.53  0.22  0.08  1.0
  Co  Co4  1  0.53  0.29  0.95  1.0
  Co  Co5  1  0.53  0.71  0.86  1.0
  Si  Si10  1  0.53  0.12  0.39  1.0
  Si  Si11  1  0.53  0.88  0.3  1.0
  Si  Si12  1  0.53  0.12  0.52  1.0
  Si  Si13  1  0.53  0.88  0.43  1.0
  Si  Si14  1  0.53  0.95  0.95  1.0
  Si  Si15  1  0.53  0.05  0.86  1.0

data_Hf2(CoSi)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.05
_cell_length_b   6.51
_cell_length_c   11.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.56
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf2(CoSi)3
_chemical_formula_sum   'Hf4 Co6 Si6'
_cell_volume   228.26
_cell_formula_units_Z   2
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  0.21  0.71  0.01  1.0
  Hf  Hf1  2  0.21  0.71  0.08  1.0
  Co  Co2  2  0.22  0.72  0.33  1.0
  Co  Co3  2  0.22  0.72  0.76  1.0
  Co  Co4  2  0.29  0.79  0.45  1.0
  Si  Si5  2  0.05  0.55  0.55  1.0
  Si  Si6  2  0.12  0.62  0.02  1.0
  Si  Si7  2  0.12  0.62  0.89  1.0

Hf Hf Hf Hf Co Co Co Co Co Co Si Si Si Si Si Si
Hf Hf Hf Hf Co Co Co Co Co Co Si Si Si Si Si Si 0 10 o o o 0 2 o o o 0 12 o o o 1 3 o o o 3 13 o o o 3 11 o o o 4 9 o o o 5 12 o o o 6 11 o o o 7 8 o o - 10 12 o o o 11 13 o o o 14 15 o + o 