data_Hf2Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   5.08
_cell_length_c   7.75
_cell_angle_alpha   61.11
_cell_angle_beta   40.01
_cell_angle_gamma   78.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Co3
_chemical_formula_sum   'Hf4 Co6'
_cell_volume   145.58
_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  0.89  0.03  0.24  1.0
  Hf  Hf7  1  0.84  0.79  0.24  1.0
  Hf  Hf8  1  0.07  0.99  0.54  1.0
  Hf  Hf9  1  0.02  0.24  0.54  1.0
  Co  Co0  1  0.93  0.93  0.87  1.0
  Co  Co1  1  0.8  0.89  0.87  1.0
  Co  Co2  1  0.11  0.1  0.17  1.0
  Co  Co3  1  0.98  0.13  0.17  1.0
  Co  Co4  1  0.36  0.41  0.19  1.0
  Co  Co5  1  0.18  0.2  0.5  1.0

data_Hf2Co3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   6.92
_cell_angle_alpha   101.12
_cell_angle_beta   101.12
_cell_angle_gamma   118.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Co3
_chemical_formula_sum   'Hf4 Co6'
_cell_volume   145.58
_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  Hf0  1  0.02  0.8  0.56  1.0
  Hf  Hf1  1  0.07  0.6  0.61  1.0
  Hf  Hf2  1  0.84  0.87  0.08  1.0
  Hf  Hf3  1  0.89  0.16  0.13  1.0
  Co  Co4  1  0.11  0.38  0.28  1.0
  Co  Co5  1  0.18  0.88  0.68  1.0
  Co  Co6  1  0.36  0.97  0.56  1.0
  Co  Co7  1  0.8  0.56  0.66  1.0
  Co  Co8  1  0.93  0.72  0.8  1.0
  Co  Co9  1  0.98  0.28  0.15  1.0

Hf Hf Hf Hf Co Co Co Co Co Co
Hf Hf Hf Hf Co Co Co Co Co Co 0 7 o o o 0 1 o - o 2 5 - o o 2 3 o + o 2 9 o + o 3 9 o o o 3 8 o o o 4 5 o o o 6 7 - o o 8 9 o o o 