data_In2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   6.39
_cell_angle_alpha   112.3
_cell_angle_beta   112.3
_cell_angle_gamma   32.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TcBr
_chemical_formula_sum   'In2 Tc1 Br1'
_cell_volume   95.22
_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  0.27  0.0  0.01  1.0
  In  In2  1  0.57  0.0  0.22  1.0
  Tc  Tc3  1  0.73  0.0  0.3  1.0
  Br  Br0  1  0.83  0.0  0.27  1.0

data_In2TcBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.46
_cell_length_c   6.39
_cell_angle_alpha   112.3
_cell_angle_beta   90.0
_cell_angle_gamma   106.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TcBr
_chemical_formula_sum   'In2 Tc1 Br1'
_cell_volume   95.22
_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  0.0  0.43  0.78  1.0
  In  In1  1  0.0  0.73  0.99  1.0
  Tc  Tc2  1  0.0  0.27  0.7  1.0
  Br  Br3  1  0.0  0.17  0.73  1.0

In In Tc Br
In In Tc Br 0 1 o o o 1 2 o o o 2 3 o o o 