data_KHf2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   7.78
_cell_angle_alpha   104.76
_cell_angle_beta   104.76
_cell_angle_gamma   37.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Rh
_chemical_formula_sum   'K1 Hf2 Rh1'
_cell_volume   118.05
_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  K2  1  0.25  0.0  0.63  1.0
  Hf  Hf0  1  0.13  0.0  0.5  1.0
  Hf  Hf1  1  0.81  0.0  0.36  1.0
  Rh  Rh3  1  0.03  0.0  0.74  1.0

data_KHf2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.06
_cell_length_c   7.78
_cell_angle_alpha   104.76
_cell_angle_beta   90.0
_cell_angle_gamma   108.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Rh
_chemical_formula_sum   'K1 Hf2 Rh1'
_cell_volume   118.05
_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  0.75  0.37  1.0
  Hf  Hf1  1  0.0  0.19  0.64  1.0
  Hf  Hf2  1  0.0  0.87  0.5  1.0
  Rh  Rh3  1  0.0  0.97  0.26  1.0

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