data_K2HfMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   3.24
_cell_angle_alpha   101.6
_cell_angle_beta   101.6
_cell_angle_gamma   133.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfMo
_chemical_formula_sum   'K2 Hf1 Mo1'
_cell_volume   104.32
_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  0.58  0.68  0.39  1.0
  K  K2  1  0.58  0.32  0.39  1.0
  Hf  Hf0  1  0.82  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_K2HfMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.86
_cell_length_c   7.21
_cell_angle_alpha   108.74
_cell_angle_beta   101.6
_cell_angle_gamma   94.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfMo
_chemical_formula_sum   'K2 Hf1 Mo1'
_cell_volume   104.32
_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  0.08  0.68  0.26  1.0
  K  K1  1  0.71  0.32  0.9  1.0
  Hf  Hf2  1  -0.0  0.0  0.82  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

K K Hf Mo