data_HfCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2
_chemical_formula_sum   'Hf3 Co6'
_cell_volume   130.93
_cell_formula_units_Z   3
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  0.0  0.0  0.0  1.0
  Hf  Hf7  1  0.0  0.48  0.08  1.0
  Hf  Hf8  1  0.01  0.74  0.08  1.0
  Co  Co0  1  0.3  0.21  0.08  1.0
  Co  Co1  1  0.37  0.82  0.0  1.0
  Co  Co2  1  0.4  0.0  0.08  1.0
  Co  Co3  1  0.32  0.01  0.08  1.0
  Co  Co4  1  0.26  0.0  0.0  1.0
  Co  Co5  1  0.39  0.4  0.0  1.0

data_HfCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2
_chemical_formula_sum   'Hf3 Co6'
_cell_volume   130.93
_cell_formula_units_Z   3
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  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.08  0.0  0.48  1.0
  Hf  Hf2  1  0.08  0.01  0.74  1.0
  Co  Co3  1  0.0  0.26  0.0  1.0
  Co  Co4  1  0.0  0.37  0.82  1.0
  Co  Co5  1  0.0  0.39  0.4  1.0
  Co  Co6  1  0.08  0.3  0.21  1.0
  Co  Co7  1  0.08  0.32  0.01  1.0
  Co  Co8  1  0.08  0.4  0.0  1.0

Hf Hf Hf Co Co Co Co Co Co
Hf Hf Hf Co Co Co Co Co Co 0 2 o - o 0 7 o o o 0 6 o o o 0 3 o o o 1 2 o o o 2 7 o + o 2 6 o + o 3 8 o o o 3 7 o o o 3 6 o o o 4 5 o + o 5 6 o o o 6 7 o o o 