data_K2HfSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   9.99
_cell_angle_alpha   94.65
_cell_angle_beta   94.65
_cell_angle_gamma   41.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfSi
_chemical_formula_sum   'K2 Hf1 Si1'
_cell_volume   143.57
_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  K1  1  0.9  0.0  0.34  1.0
  K  K2  1  0.48  0.0  0.3  1.0
  Hf  Hf0  1  0.39  0.0  0.6  1.0
  Si  Si3  1  0.85  0.0  0.64  1.0

data_K2HfSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.66
_cell_length_c   9.99
_cell_angle_alpha   94.65
_cell_angle_beta   90.0
_cell_angle_gamma   110.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfSi
_chemical_formula_sum   'K2 Hf1 Si1'
_cell_volume   143.57
_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  0.1  0.66  1.0
  K  K1  1  0.0  0.52  0.7  1.0
  Hf  Hf2  1  0.0  0.61  0.4  1.0
  Si  Si3  1  0.0  0.15  0.36  1.0

K K Hf Si
K K Hf Si 0 1 o o o 2 3 - o o 2 3 o o o 