data_TlIn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.17
_cell_angle_alpha   101.42
_cell_angle_beta   101.42
_cell_angle_gamma   32.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Tc
_chemical_formula_sum   'Tl1 In2 Tc1'
_cell_volume   87.66
_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
  Tl  Tl3  1  0.95  0.0  0.53  1.0
  In  In0  1  0.23  0.0  0.92  1.0
  In  In1  1  0.67  0.0  0.14  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

data_TlIn2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.17
_cell_length_c   5.71
_cell_angle_alpha   101.42
_cell_angle_beta   106.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Tc
_chemical_formula_sum   'Tl1 In2 Tc1'
_cell_volume   87.66
_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
  Tl  Tl0  1  0.0  0.53  0.95  1.0
  In  In1  1  0.0  0.14  0.67  1.0
  In  In2  1  0.0  0.92  0.23  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

Tl In In Tc