data_Ba2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   33.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcBr
_chemical_formula_sum   'Ba2 Tc1 Br1'
_cell_volume   130.53
_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  0.8  0.0  0.14  1.0
  Ba  Ba1  1  0.0  0.0  0.29  1.0
  Tc  Tc3  1  0.8  0.0  0.1  1.0
  Br  Br2  1  0.0  0.0  0.02  1.0

data_Ba2TcBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.59
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcBr
_chemical_formula_sum   'Ba2 Tc1 Br1'
_cell_volume   130.53
_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  0.71  0.0  0.71  1.0
  Ba  Ba1  1  0.86  0.8  0.86  1.0
  Tc  Tc2  1  0.9  0.8  0.9  1.0
  Br  Br3  1  0.98  0.0  0.98  1.0

Ba Ba Tc Br