data_K2HfIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.77
_cell_length_b   10.77
_cell_length_c   10.77
_cell_angle_alpha   160.88
_cell_angle_beta   155.0
_cell_angle_gamma   31.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfIn
_chemical_formula_sum   'K2 Hf1 In1'
_cell_volume   172.63
_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  0.79  0.0  0.22  1.0
  K  K3  1  0.0  0.33  0.14  1.0
  Hf  Hf0  1  0.0  0.0  0.36  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   3.58
_cell_length_b   4.66
_cell_length_c   10.77
_cell_angle_alpha   102.5
_cell_angle_beta   99.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfIn
_chemical_formula_sum   'K2 Hf1 In1'
_cell_volume   172.63
_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  0.57  0.78  0.57  1.0
  K  K1  1  0.86  0.19  0.19  1.0
  Hf  Hf2  1  0.64  0.64  0.64  1.0
  In  In3  1  0.0  0.0  0.0  1.0

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