data_BaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTc2
_chemical_formula_sum   'Ba4 Tc8'
_cell_volume   255.05
_cell_formula_units_Z   4
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  0.87  0.66  0.01  1.0
  Ba  Ba1  1  0.0  0.31  0.54  1.0
  Ba  Ba2  1  0.0  0.31  0.93  1.0
  Ba  Ba3  1  0.87  0.66  0.4  1.0
  Tc  Tc4  1  0.0  0.0  0.47  1.0
  Tc  Tc5  1  0.0  0.0  0.0  1.0
  Tc  Tc6  1  0.44  0.15  0.7  1.0
  Tc  Tc7  1  0.43  0.83  0.23  1.0
  Tc  Tc8  1  0.56  0.15  0.7  1.0
  Tc  Tc9  1  0.0  0.65  0.7  1.0
  Tc  Tc10  1  0.87  0.32  0.23  1.0
  Tc  Tc11  1  0.31  0.83  0.23  1.0

data_BaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTc2
_chemical_formula_sum   'Ba4 Tc8'
_cell_volume   255.05
_cell_formula_units_Z   4
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  0.31  0.54  1.0
  Ba  Ba1  1  -0.0  0.31  0.93  1.0
  Ba  Ba2  1  0.87  0.66  0.01  1.0
  Ba  Ba3  1  0.87  0.66  0.4  1.0
  Tc  Tc4  1  -0.0  0.65  0.7  1.0
  Tc  Tc5  1  0.0  0.0  0.0  1.0
  Tc  Tc6  1  0.0  0.0  0.47  1.0
  Tc  Tc7  1  0.31  0.83  0.23  1.0
  Tc  Tc8  1  0.43  0.83  0.23  1.0
  Tc  Tc9  1  0.44  0.15  0.7  1.0
  Tc  Tc10  1  0.56  0.15  0.7  1.0
  Tc  Tc11  1  0.87  0.32  0.23  1.0

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