data_KHfIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   138.08
_cell_angle_beta   138.08
_cell_angle_gamma   60.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfIn2
_chemical_formula_sum   'K1 Hf1 In2'
_cell_volume   109.05
_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  K3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.24  0.71  1.0
  In  In1  1  0.0  0.0  0.41  1.0
  In  In2  1  0.24  0.0  0.71  1.0

data_KHfIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   6.27
_cell_angle_alpha   110.96
_cell_angle_beta   110.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfIn2
_chemical_formula_sum   'K1 Hf1 In2'
_cell_volume   109.05
_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  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.46  0.71  0.46  1.0
  In  In2  1  0.41  0.41  0.41  1.0
  In  In3  1  0.71  0.46  0.46  1.0

K Hf In In