data_K2HfIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   3.21
_cell_angle_alpha   101.34
_cell_angle_beta   101.34
_cell_angle_gamma   126.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfIn
_chemical_formula_sum   'K2 Hf1 In1'
_cell_volume   125.44
_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  K2  1  0.95  0.28  0.45  1.0
  K  K3  1  0.95  0.72  0.45  1.0
  Hf  Hf0  1  0.31  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.0  1.0

data_K2HfIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.96
_cell_length_c   7.35
_cell_angle_alpha   113.19
_cell_angle_beta   101.34
_cell_angle_gamma   93.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfIn
_chemical_formula_sum   'K2 Hf1 In1'
_cell_volume   125.44
_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  K0  1  0.17  0.72  0.67  1.0
  K  K1  1  0.72  0.28  0.23  1.0
  Hf  Hf2  1  0.0  0.0  0.31  1.0
  In  In3  1  0.0  0.0  0.0  1.0

K K Hf In
K K Hf In 0 1 o o o 0 3 + o o 0 3 + o + 0 0 o o + 1 3 + + + 1 3 + + o 1 2 + + + 2 3 o o o 