data_In2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.35
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   94.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TcBr
_chemical_formula_sum   'In2 Tc1 Br1'
_cell_volume   88.64
_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
  In  In1  1  0.01  0.67  0.4  1.0
  In  In2  1  0.67  0.67  0.48  1.0
  Tc  Tc3  1  0.34  0.0  0.94  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_In2TcBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.36
_cell_length_c   7.92
_cell_angle_alpha   94.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TcBr
_chemical_formula_sum   'In2 Tc1 Br1'
_cell_volume   88.64
_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
  In  In0  1  0.33  0.33  0.52  1.0
  In  In1  1  0.33  0.99  0.6  1.0
  Tc  Tc2  1  0.0  0.66  0.06  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

In In Tc Br