data_Na2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   4.73
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   100.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcBr
_chemical_formula_sum   'Na2 Tc1 Br1'
_cell_volume   96.63
_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
  Na  Na1  1  0.22  0.37  0.81  1.0
  Na  Na2  1  0.22  0.0  0.8  1.0
  Tc  Tc3  1  0.58  0.37  0.97  1.0
  Br  Br0  1  0.57  0.0  0.53  1.0

data_Na2TcBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.73
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   100.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcBr
_chemical_formula_sum   'Na2 Tc1 Br1'
_cell_volume   96.63
_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
  Na  Na0  1  0.22  0.37  0.81  1.0
  Na  Na1  1  0.22  0.0  0.8  1.0
  Tc  Tc2  1  0.58  0.37  0.97  1.0
  Br  Br3  1  0.57  0.0  0.53  1.0

Na Na Tc Br