data_La2YTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YTc
_chemical_formula_sum   'La2 Y1 Tc1'
_cell_volume   104.07
_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
  La  La0  1  0.87  0.87  0.87  1.0
  La  La1  1  0.73  0.73  0.73  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.6  0.6  0.6  1.0

data_La2YTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   12.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La2YTc
_chemical_formula_sum   'La6 Y3 Tc3'
_cell_volume   312.22
_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
  La  La0  3  0.0  0.0  0.13  1.0
  La  La1  3  0.0  0.0  0.27  1.0
  Y  Y2  3  0.0  0.0  0.0  1.0
  Tc  Tc3  3  0.0  0.0  0.4  1.0

La La Y Tc
La La Y Tc 0 1 o o o 0 2 + + + 1 3 o o o 
La2YTc crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to one La(2), one Y(1), and three equivalent Tc(1) atoms. The La(1)-La(2) bond length is 1.72 Å. The La(1)-Y(1) bond length is 1.72 Å. All La(1)-Tc(1) bond lengths are 3.17 Å. In the second La site, La(2) is bonded in a distorted single-bond geometry to one La(1) and one Tc(1) atom. The La(2)-Tc(1) bond length is 1.72 Å. Y(1) is bonded in a single-bond geometry to one La(1) atom. Tc(1) is bonded in a single-bond geometry to one La(2) and three equivalent La(1) atoms.