data_SrTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   6.69
_cell_angle_alpha   92.05
_cell_angle_beta   92.05
_cell_angle_gamma   34.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa3
_chemical_formula_sum   'Sr1 Ta3'
_cell_volume   94.0
_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  Sr0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.64  0.0  0.34  1.0
  Ta  Ta2  1  0.15  0.0  0.12  1.0
  Ta  Ta3  1  0.13  0.0  0.56  1.0

data_SrTa3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.99
_cell_length_c   6.69
_cell_angle_alpha   92.05
_cell_angle_beta   90.0
_cell_angle_gamma   107.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa3
_chemical_formula_sum   'Sr1 Ta3'
_cell_volume   94.0
_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  Sr0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.36  0.66  1.0
  Ta  Ta2  1  0.0  0.85  0.88  1.0
  Ta  Ta3  1  0.0  0.87  0.44  1.0

Sr Ta Ta Ta
Sr Ta Ta Ta 0 2 o o o 0 1 - o o 0 3 o o - 1 2 o o o 1 2 + o o 1 3 o o o 1 3 + o o 1 1 + - o 2 3 o o o 3 3 + - o 
SrTa3 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a single-bond geometry to one Ta(1), one Ta(2), and one Ta(3) atom. The Sr(1)-Ta(1) bond length is 2.95 Å. The Sr(1)-Ta(2) bond length is 1.08 Å. The Sr(1)-Ta(3) bond length is 3.05 Å. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one Sr(1), one Ta(2), two equivalent Ta(1), and two equivalent Ta(3) atoms. The Ta(1)-Ta(2) bond length is 2.81 Å. Both Ta(1)-Ta(1) bond lengths are 2.95 Å. There is one shorter (2.81 Å) and one longer (2.97 Å) Ta(1)-Ta(3) bond length. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Sr(1) and one Ta(1) atom. In the third Ta site, Ta(3) is bonded in a distorted single-bond geometry to one Sr(1) and two equivalent Ta(1) atoms.