data_SrLaHfTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaHfTc
_chemical_formula_sum   'Sr1 La1 Hf1 Tc1'
_cell_volume   99.75
_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
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  La  La1  1  0.84  0.84  0.84  1.0
  Hf  Hf0  1  0.52  0.52  0.52  1.0
  Tc  Tc3  1  0.68  0.68  0.68  1.0

data_SrLaHfTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLaHfTc
_chemical_formula_sum   'Sr3 La3 Hf3 Tc3'
_cell_volume   299.24
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.16  1.0
  Hf  Hf2  3  0.0  0.0  0.48  1.0
  Tc  Tc3  3  0.0  0.0  0.32  1.0

Sr La Hf Tc
Sr La Hf Tc 0 1 - - - 1 3 o o o 2 3 o o o 
SrLaHfTc crystallizes in the trigonal R3m space group. Sr(1) is bonded to one La(1) and three equivalent Tc(1) atoms to form distorted SrLaTc3 trigonal pyramids that share  a cornercorner with one Tc(1)Sr3LaHf trigonal bipyramid and corners with six equivalent Sr(1)LaTc3 trigonal pyramids. The Sr(1)-La(1) bond length is 2.03 Å. All Sr(1)-Tc(1) bond lengths are 3.01 Å. La(1) is bonded in a 2-coordinate geometry to one Sr(1) and one Tc(1) atom. The La(1)-Tc(1) bond length is 2.03 Å. Hf(1) is bonded in a distorted single-bond geometry to one Tc(1) atom. The Hf(1)-Tc(1) bond length is 2.03 Å. Tc(1) is bonded to three equivalent Sr(1), one La(1), and one Hf(1) atom to form distorted TcSr3LaHf trigonal bipyramids that share corners with six equivalent Tc(1)Sr3LaHf trigonal bipyramids and  a cornercorner with one Sr(1)LaTc3 trigonal pyramid.