data_Ba5Ta4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.57
_cell_length_b   10.57
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Ta4
_chemical_formula_sum   'Ba10 Ta8'
_cell_volume   629.11
_cell_formula_units_Z   2
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  0.41  0.9  0.87  1.0
  Ba  Ba1  1  0.76  0.0  0.87  1.0
  Ba  Ba2  1  0.12  0.25  0.87  1.0
  Ba  Ba3  1  0.88  0.25  0.62  1.0
  Ba  Ba4  1  0.82  0.0  0.62  1.0
  Ba  Ba5  1  0.59  0.9  0.62  1.0
  Ba  Ba6  1  0.0  0.11  0.25  1.0
  Ba  Ba7  1  0.29  0.05  0.0  1.0
  Ba  Ba8  1  0.29  0.05  0.25  1.0
  Ba  Ba9  1  0.0  0.11  0.0  1.0
  Ta  Ta10  1  0.0  0.0  0.25  1.0
  Ta  Ta11  1  0.0  0.0  0.0  1.0
  Ta  Ta12  1  0.09  0.88  0.87  1.0
  Ta  Ta13  1  0.4  0.0  0.87  1.0
  Ta  Ta14  1  0.8  0.27  0.87  1.0
  Ta  Ta15  1  0.2  0.27  0.62  1.0
  Ta  Ta16  1  0.18  0.0  0.62  1.0
  Ta  Ta17  1  0.91  0.88  0.62  1.0

data_Ba5Ta4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.5
_cell_length_b   10.57
_cell_length_c   10.57
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Ta4
_chemical_formula_sum   'Ba10 Ta8'
_cell_volume   629.11
_cell_formula_units_Z   2
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  -0.0  0.0  0.11  1.0
  Ba  Ba1  1  0.0  0.29  0.05  1.0
  Ba  Ba2  1  0.25  0.0  0.11  1.0
  Ba  Ba3  1  0.25  0.29  0.05  1.0
  Ba  Ba4  1  0.62  0.59  0.9  1.0
  Ba  Ba5  1  0.62  0.82  0.0  1.0
  Ba  Ba6  1  0.62  0.88  0.25  1.0
  Ba  Ba7  1  0.87  0.12  0.25  1.0
  Ba  Ba8  1  0.87  0.41  0.9  1.0
  Ba  Ba9  1  0.87  0.76  0.0  1.0
  Ta  Ta10  1  0.0  0.0  0.0  1.0
  Ta  Ta11  1  0.25  0.0  0.0  1.0
  Ta  Ta12  1  0.62  0.18  0.0  1.0
  Ta  Ta13  1  0.62  0.2  0.27  1.0
  Ta  Ta14  1  0.62  0.91  0.88  1.0
  Ta  Ta15  1  0.87  0.09  0.88  1.0
  Ta  Ta16  1  0.87  0.4  0.0  1.0
  Ta  Ta17  1  0.87  0.8  0.27  1.0

Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ta Ta Ta Ta Ta Ta Ta Ta
Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ta Ta Ta Ta Ta Ta Ta Ta 0 13 o + o 0 5 o o o 1 4 o o o 1 5 o - o 2 9 o o + 2 15 o o o 3 14 o o o 4 5 o - o 4 17 o - o 6 10 o o o 7 13 o o - 7 8 o o o 7 12 o - - 9 11 o o o 11 12 o - - 12 16 o + o 