data_BaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.5
_cell_length_b   12.61
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTc
_chemical_formula_sum   'Ba12 Tc12'
_cell_volume   812.99
_cell_formula_units_Z   12
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  0.53  0.15  0.68  1.0
  Ba  Ba1  1  0.97  0.47  0.89  1.0
  Ba  Ba2  1  0.97  0.45  0.68  1.0
  Ba  Ba3  1  0.53  0.16  0.89  1.0
  Ba  Ba4  1  0.15  0.54  0.68  1.0
  Ba  Ba5  1  0.36  0.08  0.89  1.0
  Ba  Ba6  1  0.36  0.23  0.68  1.0
  Ba  Ba7  1  0.15  0.39  0.89  1.0
  Ba  Ba8  1  0.45  0.46  0.0  1.0
  Ba  Ba9  1  0.06  0.15  0.79  1.0
  Ba  Ba10  1  0.06  0.15  0.0  1.0
  Ba  Ba11  1  0.45  0.46  0.79  1.0
  Tc  Tc12  1  0.49  0.93  0.68  1.0
  Tc  Tc13  1  0.02  0.68  0.89  1.0
  Tc  Tc14  1  0.02  0.24  0.68  1.0
  Tc  Tc15  1  0.49  0.38  0.89  1.0
  Tc  Tc16  1  0.23  0.2  0.68  1.0
  Tc  Tc17  1  0.27  0.42  0.89  1.0
  Tc  Tc18  1  0.27  0.89  0.68  1.0
  Tc  Tc19  1  0.23  0.73  0.89  1.0
  Tc  Tc20  1  0.57  0.46  0.0  1.0
  Tc  Tc21  1  0.94  0.15  0.79  1.0
  Tc  Tc22  1  0.94  0.15  0.0  1.0
  Tc  Tc23  1  0.57  0.46  0.79  1.0

data_BaTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.58
_cell_length_b   8.5
_cell_length_c   12.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTc
_chemical_formula_sum   'Ba12 Tc12'
_cell_volume   812.99
_cell_formula_units_Z   12
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  0.45  0.46  1.0
  Ba  Ba1  1  -0.0  0.06  0.15  1.0
  Ba  Ba2  1  0.68  0.15  0.54  1.0
  Ba  Ba3  1  0.68  0.36  0.23  1.0
  Ba  Ba4  1  0.68  0.53  0.15  1.0
  Ba  Ba5  1  0.68  0.97  0.45  1.0
  Ba  Ba6  1  0.79  0.06  0.15  1.0
  Ba  Ba7  1  0.79  0.45  0.46  1.0
  Ba  Ba8  1  0.89  0.15  0.39  1.0
  Ba  Ba9  1  0.89  0.36  0.08  1.0
  Ba  Ba10  1  0.89  0.53  0.16  1.0
  Ba  Ba11  1  0.89  0.97  0.47  1.0
  Tc  Tc12  1  -0.0  0.94  0.15  1.0
  Tc  Tc13  1  -0.0  0.57  0.46  1.0
  Tc  Tc14  1  0.68  0.02  0.24  1.0
  Tc  Tc15  1  0.68  0.23  0.2  1.0
  Tc  Tc16  1  0.68  0.27  0.89  1.0
  Tc  Tc17  1  0.68  0.49  0.93  1.0
  Tc  Tc18  1  0.79  0.57  0.46  1.0
  Tc  Tc19  1  0.79  0.94  0.15  1.0
  Tc  Tc20  1  0.89  0.02  0.68  1.0
  Tc  Tc21  1  0.89  0.23  0.73  1.0
  Tc  Tc22  1  0.89  0.27  0.42  1.0
  Tc  Tc23  1  0.89  0.49  0.38  1.0

Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc