data_La2TlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   8.09
_cell_angle_alpha   97.22
_cell_angle_beta   97.22
_cell_angle_gamma   49.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlTc
_chemical_formula_sum   'La2 Tl1 Tc1'
_cell_volume   115.71
_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
  La  La0  1  0.7  0.0  0.6  1.0
  La  La1  1  0.12  0.0  0.42  1.0
  Tl  Tl3  1  0.41  0.0  0.01  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

data_La2TlTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.36
_cell_length_c   8.09
_cell_angle_alpha   97.22
_cell_angle_beta   90.0
_cell_angle_gamma   114.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlTc
_chemical_formula_sum   'La2 Tl1 Tc1'
_cell_volume   115.71
_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
  La  La0  1  0.0  0.3  0.4  1.0
  La  La1  1  0.0  0.88  0.58  1.0
  Tl  Tl2  1  0.0  0.59  0.99  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

La La Tl Tc
La La Tl Tc 0 1 o o o 0 1 + o o 2 3 o o o 