data_SrTa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Cu
_chemical_formula_sum   'Sr1 Ta2 Cu1'
_cell_volume   89.67
_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  0.72  0.72  0.53  1.0
  Ta  Ta2  1  0.0  0.0  0.6  1.0
  Ta  Ta3  1  0.72  0.72  0.91  1.0
  Cu  Cu0  1  0.0  0.0  0.29  1.0

data_SrTa2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTa2Cu
_chemical_formula_sum   'Sr2 Ta4 Cu2'
_cell_volume   179.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.22  0.5  0.53  1.0
  Ta  Ta1  2  0.0  0.0  0.6  1.0
  Ta  Ta2  2  0.22  0.5  0.91  1.0
  Cu  Cu3  2  0.0  0.0  0.29  1.0

Sr Ta Ta Cu
Sr Ta Ta Cu 0 1 + + o 0 2 o o o 0 3 + + o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 o o o 2 2 + o o 2 2 o + o 2 3 + + + 
SrTa2Cu crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a distorted single-bond geometry to one Ta(1), one Ta(2), and three equivalent Cu(1) atoms. The Sr(1)-Ta(1) bond length is 1.46 Å. The Sr(1)-Ta(2) bond length is 2.84 Å. There is one shorter (2.26 Å) and two longer (3.22 Å) Sr(1)-Cu(1) bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Sr(1), one Ta(2), and one Cu(1) atom. The Ta(1)-Ta(2) bond length is 2.67 Å. The Ta(1)-Cu(1) bond length is 2.35 Å. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one Sr(1), one Ta(1), and one Cu(1) atom. The Ta(2)-Cu(1) bond length is 3.20 Å. Cu(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Ta(1), and one Ta(2) atom.