data_TlFeTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   2.81
_cell_angle_alpha   99.12
_cell_angle_beta   99.12
_cell_angle_gamma   119.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFeTc2
_chemical_formula_sum   'Tl1 Fe1 Tc2'
_cell_volume   62.4
_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  0.6  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.86  0.25  0.33  1.0
  Tc  Tc2  1  0.86  0.75  0.33  1.0

data_TlFeTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.07
_cell_length_c   5.2
_cell_angle_alpha   115.19
_cell_angle_beta   99.12
_cell_angle_gamma   103.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFeTc2
_chemical_formula_sum   'Tl1 Fe1 Tc2'
_cell_volume   62.4
_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  0.0  0.6  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.08  0.75  0.6  1.0
  Tc  Tc3  1  0.58  0.25  0.11  1.0

Tl Fe Tc Tc