data_KLaZrTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaZrTc
_chemical_formula_sum   'K1 La1 Zr1 Tc1'
_cell_volume   97.75
_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  0.0  0.0  1.0
  La  La1  1  0.48  0.48  0.48  1.0
  Zr  Zr3  1  0.83  0.83  0.83  1.0
  Tc  Tc2  1  0.66  0.66  0.66  1.0

data_KLaZrTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KLaZrTc
_chemical_formula_sum   'K3 La3 Zr3 Tc3'
_cell_volume   293.24
_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  0.0  1.0
  La  La1  3  0.0  0.0  0.52  1.0
  Zr  Zr2  3  0.0  0.0  0.17  1.0
  Tc  Tc3  3  0.0  0.0  0.34  1.0

K La Zr Tc
K La Zr Tc 0 2 - - - 1 3 o o o 2 3 o o o 
KLaZrTc crystallizes in the trigonal R3m space group. K(1) is bonded to one Zr(1) and three equivalent Tc(1) atoms to form distorted KZrTc3 trigonal pyramids that share  a cornercorner with one Tc(1)K3LaZr trigonal bipyramid and corners with six equivalent K(1)ZrTc3 trigonal pyramids. The K(1)-Zr(1) bond length is 2.18 Å. All K(1)-Tc(1) bond lengths are 2.99 Å. La(1) is bonded in a distorted single-bond geometry to one Tc(1) atom. The La(1)-Tc(1) bond length is 2.18 Å. Zr(1) is bonded in a distorted linear geometry to one K(1) and one Tc(1) atom. The Zr(1)-Tc(1) bond length is 2.18 Å. Tc(1) is bonded to three equivalent K(1), one La(1), and one Zr(1) atom to form distorted TcK3LaZr trigonal bipyramids that share corners with six equivalent Tc(1)K3LaZr trigonal bipyramids and  a cornercorner with one K(1)ZrTc3 trigonal pyramid.