data_SrLaTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaTa2
_chemical_formula_sum   'Sr1 La1 Ta2'
_cell_volume   100.4
_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  Sr1  1  0.0  0.0  0.0  1.0
  La  La0  1  0.84  0.84  0.84  1.0
  Ta  Ta2  1  0.53  0.53  0.53  1.0
  Ta  Ta3  1  0.69  0.69  0.69  1.0

data_SrLaTa2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLaTa2
_chemical_formula_sum   'Sr3 La3 Ta6'
_cell_volume   301.21
_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
  Ta  Ta2  3  0.0  0.0  0.31  1.0
  Ta  Ta3  3  0.0  0.0  0.47  1.0

Sr La Ta Ta
Sr La Ta Ta 0 1 - - - 1 3 o o o 2 3 o o o 
SrLaTa2 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 4-coordinate geometry to one La(1) and three equivalent Ta(2) atoms. The Sr(1)-La(1) bond length is 1.99 Å. All Sr(1)-Ta(2) bond lengths are 3.03 Å. La(1) is bonded in a 5-coordinate geometry to one Sr(1), one Ta(2), and three equivalent Ta(1) atoms. The La(1)-Ta(2) bond length is 1.99 Å. All La(1)-Ta(1) bond lengths are 3.03 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent La(1) and one Ta(2) atom to form distorted corner-sharing TaLa3Ta trigonal pyramids. The Ta(1)-Ta(2) bond length is 1.99 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to three equivalent Sr(1), one La(1), and one Ta(1) atom.