data_InTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   7.07
_cell_angle_alpha   109.13
_cell_angle_beta   109.13
_cell_angle_gamma   31.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2
_chemical_formula_sum   'In2 Tc4'
_cell_volume   100.37
_cell_formula_units_Z   2
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  0.45  0.0  0.25  1.0
  In  In1  1  0.54  0.0  0.39  1.0
  Tc  Tc2  1  0.76  0.0  0.8  1.0
  Tc  Tc3  1  0.51  0.0  0.46  1.0
  Tc  Tc4  1  0.48  0.0  0.18  1.0
  Tc  Tc5  1  0.23  0.0  0.85  1.0

data_InTc2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.91
_cell_length_b   5.4
_cell_length_c   7.07
_cell_angle_alpha   109.13
_cell_angle_beta   90.0
_cell_angle_gamma   105.63
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InTc2
_chemical_formula_sum   'In2 Tc4'
_cell_volume   100.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.45  0.43  1.0
  Tc  Tc1  2  0.0  0.23  0.03  1.0
  Tc  Tc2  2  0.0  0.48  0.36  1.0

In In Tc Tc Tc Tc
In In Tc Tc Tc Tc 0 4 o o o 0 5 o o - 1 3 o o o 1 2 o o o 2 3 o o o 2 2 + - o 2 5 + o o 4 5 o o - 5 5 + - o 