data_K5Hf4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67
_cell_length_b   9.67
_cell_length_c   9.67
_cell_angle_alpha   92.6
_cell_angle_beta   92.6
_cell_angle_gamma   155.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5Hf4
_chemical_formula_sum   'K5 Hf4'
_cell_volume   367.71
_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
  K  K4  1  0.0  0.0  0.0  1.0
  K  K5  1  0.37  0.37  0.0  1.0
  K  K6  1  0.31  0.31  0.06  1.0
  K  K7  1  0.31  0.69  0.06  1.0
  K  K8  1  0.69  0.31  0.06  1.0
  Hf  Hf0  1  0.2  0.0  0.0  1.0
  Hf  Hf1  1  0.16  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.2  0.0  1.0
  Hf  Hf3  1  0.0  0.16  0.0  1.0

data_K5Hf4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.12
_cell_length_b   18.89
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   102.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K5Hf4
_chemical_formula_sum   'K10 Hf8'
_cell_volume   735.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  K  K0  4  0.06  0.31  0.06  1.0
  K  K1  2  0.0  0.0  0.0  1.0
  K  K2  2  0.13  0.5  -0.0  1.0
  K  K3  2  0.25  0.5  0.06  1.0
  Hf  Hf4  4  0.4  0.6  0.0  1.0
  Hf  Hf5  4  0.42  0.58  0.0  1.0

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