data_Tl2TcAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.63
_cell_angle_alpha   101.55
_cell_angle_beta   101.55
_cell_angle_gamma   37.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcAu
_chemical_formula_sum   'Tl2 Tc1 Au1'
_cell_volume   82.81
_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  Tl2  1  0.5  0.0  0.19  1.0
  Tl  Tl3  1  0.77  0.0  0.32  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.14  0.0  0.75  1.0

data_Tl2TcAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.99
_cell_length_c   5.63
_cell_angle_alpha   101.55
_cell_angle_beta   90.0
_cell_angle_gamma   108.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcAu
_chemical_formula_sum   'Tl2 Tc1 Au1'
_cell_volume   82.81
_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  0.23  0.68  1.0
  Tl  Tl1  1  0.0  0.5  0.81  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.86  0.25  1.0

Tl Tl Tc Au