data_KHf2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.9
_cell_length_b   11.9
_cell_length_c   11.9
_cell_angle_alpha   15.1
_cell_angle_beta   15.1
_cell_angle_gamma   15.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Ag
_chemical_formula_sum   'K1 Hf2 Ag1'
_cell_volume   99.63
_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  K3  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.99  1.0
  Hf  Hf2  1  0.0  0.0  0.3  1.0
  Ag  Ag0  1  0.0  0.0  0.64  1.0

data_KHf2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   3.13
_cell_length_c   11.9
_cell_angle_alpha   90.0
_cell_angle_beta   98.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KHf2Ag
_chemical_formula_sum   'K2 Hf4 Ag2'
_cell_volume   199.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.01  1.0
  Hf  Hf2  2  0.0  0.0  0.7  1.0
  Ag  Ag3  2  0.0  0.0  0.36  1.0

K Hf Hf Ag