data_Hf5Co24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.69
_cell_length_c   7.69
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Co24
_chemical_formula_sum   'Hf5 Co24'
_cell_volume   349.53
_cell_formula_units_Z   1
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  0.73  0.27  0.73  1.0
  Hf  Hf25  1  0.27  0.73  0.73  1.0
  Hf  Hf26  1  0.73  0.73  0.27  1.0
  Hf  Hf27  1  0.71  0.71  0.71  1.0
  Hf  Hf28  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.81  0.19  0.5  1.0
  Co  Co1  1  0.19  0.81  0.5  1.0
  Co  Co2  1  0.81  0.81  0.38  1.0
  Co  Co3  1  0.63  0.63  0.94  1.0
  Co  Co4  1  0.81  0.38  0.81  1.0
  Co  Co5  1  0.63  0.94  0.63  1.0
  Co  Co6  1  0.19  0.5  0.81  1.0
  Co  Co7  1  0.81  0.5  0.19  1.0
  Co  Co8  1  0.5  0.19  0.81  1.0
  Co  Co9  1  0.5  0.81  0.19  1.0
  Co  Co10  1  0.94  0.63  0.63  1.0
  Co  Co11  1  0.38  0.81  0.81  1.0
  Co  Co12  1  0.79  0.21  0.74  1.0
  Co  Co13  1  0.21  0.79  0.74  1.0
  Co  Co14  1  0.23  0.23  0.69  1.0
  Co  Co15  1  0.21  0.21  0.13  1.0
  Co  Co16  1  0.23  0.69  0.23  1.0
  Co  Co17  1  0.21  0.13  0.21  1.0
  Co  Co18  1  0.21  0.74  0.79  1.0
  Co  Co19  1  0.79  0.74  0.21  1.0
  Co  Co20  1  0.74  0.21  0.79  1.0
  Co  Co21  1  0.74  0.79  0.21  1.0
  Co  Co22  1  0.13  0.21  0.21  1.0
  Co  Co23  1  0.69  0.23  0.23  1.0

data_Hf5Co24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.55
_cell_length_b   12.55
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hf5Co24
_chemical_formula_sum   'Hf15 Co72'
_cell_volume   1048.58
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.03  0.51  0.24  1.0
  Hf  Hf1  3  0.0  0.0  0.0  1.0
  Hf  Hf2  3  0.0  0.0  0.71  1.0
  Co  Co3  18  0.03  0.36  0.17  1.0
  Co  Co4  18  0.16  0.37  0.58  1.0
  Co  Co5  9  0.03  0.05  0.18  1.0
  Co  Co6  9  0.04  0.52  0.33  1.0
  Co  Co7  9  0.18  0.36  0.05  1.0
  Co  Co8  9  0.21  0.1  0.73  1.0

Hf 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