data_BaTa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Cu
_chemical_formula_sum   'Ba1 Ta2 Cu1'
_cell_volume   81.34
_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
  Ba  Ba0  1  0.54  0.54  0.0  1.0
  Ta  Ta2  1  0.0  0.54  0.58  1.0
  Ta  Ta3  1  0.54  0.0  0.58  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0

data_BaTa2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTa2Cu
_chemical_formula_sum   'Ba2 Ta4 Cu2'
_cell_volume   162.69
_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
  Ba  Ba0  2  0.04  0.5  -0.0  1.0
  Ta  Ta1  4  0.27  0.27  0.58  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0

Ba Ta Ta Cu
Ba Ta Ta Cu 0 1 o o - 0 1 o o o 0 1 + o - 0 1 + o o 0 2 o o - 0 2 o o o 0 2 o + - 0 2 o + o 0 0 o o + 0 3 + + o 1 2 - + o 1 3 o o o 1 3 o o + 1 3 o + o 1 3 o + + 1 1 o o + 2 3 o o o 2 3 o o + 2 3 + o o 2 3 + o + 2 2 o o + 3 3 o o + 
BaTa2Cu crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent Ta(1) atoms. There are a spread of Ba(1)-Ta(1) bond distances ranging from 2.70-3.28 Å. Ta(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Cu(1) atoms. There are a spread of Ta(1)-Cu(1) bond distances ranging from 2.70-3.28 Å. Cu(1) is bonded in a 8-coordinate geometry to eight equivalent Ta(1) atoms.