data_LaTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Tc
_chemical_formula_sum   'La1 Tl2 Tc1'
_cell_volume   94.67
_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  0.0  0.86  1.0
  Tl  Tl2  1  0.75  0.75  0.56  1.0
  Tl  Tl3  1  0.75  0.75  0.15  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0

data_LaTl2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTl2Tc
_chemical_formula_sum   'La2 Tl4 Tc2'
_cell_volume   189.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.86  1.0
  Tl  Tl1  2  0.25  0.5  0.15  1.0
  Tl  Tl2  2  0.25  0.5  0.56  1.0
  Tc  Tc3  2  0.0  0.0  0.0  1.0

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