data_KNaHfBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaHfBe
_chemical_formula_sum   'K1 Na1 Hf1 Be1'
_cell_volume   99.21
_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  0.84  0.84  0.84  1.0
  Na  Na3  1  0.67  0.67  0.67  1.0
  Hf  Hf1  1  0.51  0.51  0.51  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_KNaHfBe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KNaHfBe
_chemical_formula_sum   'K3 Na3 Hf3 Be3'
_cell_volume   297.64
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.16  1.0
  Na  Na1  3  0.0  0.0  0.33  1.0
  Hf  Hf2  3  0.0  0.0  0.49  1.0
  Be  Be3  3  0.0  0.0  0.0  1.0

K Na Hf Be
KNaBeHf crystallizes in the trigonal R3m space group. K(1) is bonded to one Na(1), one Be(1), and three equivalent Hf(1) atoms to form distorted KNaHf3Be trigonal bipyramids that share corners with six equivalent K(1)NaHf3Be trigonal bipyramids,  a cornercorner with one Hf(1)K3Na trigonal pyramid, corners with three equivalent Be(1)KNa3 trigonal pyramids, and edges with three equivalent Na(1)KHfBe3 trigonal bipyramids. The K(1)-Na(1) bond length is 2.07 Å. The K(1)-Be(1) bond length is 2.07 Å. All K(1)-Hf(1) bond lengths are 3.00 Å. Na(1) is bonded to one K(1), three equivalent Be(1), and one Hf(1) atom to form distorted NaKHfBe3 trigonal bipyramids that share corners with six equivalent Na(1)KHfBe3 trigonal bipyramids,  a cornercorner with one Be(1)KNa3 trigonal pyramid, corners with three equivalent Hf(1)K3Na trigonal pyramids, and edges with three equivalent K(1)NaHf3Be trigonal bipyramids. All Na(1)-Be(1) bond lengths are 3.00 Å. The Na(1)-Hf(1) bond length is 2.07 Å. Be(1) is bonded to one K(1) and three equivalent Na(1) atoms to form distorted BeKNa3 trigonal pyramids that share  a cornercorner with one Na(1)KHfBe3 trigonal bipyramid, corners with three equivalent K(1)NaHf3Be trigonal bipyramids, corners with six equivalent Be(1)KNa3 trigonal pyramids, and edges with three equivalent Hf(1)K3Na trigonal pyramids. Hf(1) is bonded to three equivalent K(1) and one Na(1) atom to form distorted HfK3Na trigonal pyramids that share  a cornercorner with one K(1)NaHf3Be trigonal bipyramid, corners with three equivalent Na(1)KHfBe3 trigonal bipyramids, corners with six equivalent Hf(1)K3Na trigonal pyramids, and edges with three equivalent Be(1)KNa3 trigonal pyramids.