data_KHf2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Sn
_chemical_formula_sum   'K1 Hf2 Sn1'
_cell_volume   102.87
_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  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.63  0.41  0.53  1.0
  Hf  Hf1  1  0.63  0.59  0.53  1.0
  Sn  Sn3  1  0.25  0.0  0.0  1.0

data_KHf2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   115.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Sn
_chemical_formula_sum   'K1 Hf2 Sn1'
_cell_volume   102.87
_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  0.53  0.63  0.59  1.0
  Hf  Hf2  1  0.53  0.63  0.41  1.0
  Sn  Sn3  1  0.0  0.25  0.0  1.0

K Hf Hf Sn