data_KHf2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Ag
_chemical_formula_sum   'K1 Hf2 Ag1'
_cell_volume   99.26
_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  Hf1  1  0.47  0.11  0.46  1.0
  Hf  Hf2  1  0.47  0.89  0.46  1.0
  Ag  Ag0  1  0.94  0.0  0.0  1.0

data_KHf2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.89
_cell_length_c   6.49
_cell_angle_alpha   116.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Ag
_chemical_formula_sum   'K1 Hf2 Ag1'
_cell_volume   99.26
_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  0.11  0.58  1.0
  Hf  Hf2  1  0.46  0.89  0.36  1.0
  Ag  Ag3  1  -0.0  0.0  0.94  1.0

K Hf Hf Ag