data_AlTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   38.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Tc
_chemical_formula_sum   'Al1 Tl2 Tc1'
_cell_volume   83.7
_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
  Al  Al0  1  0.0  0.0  0.33  1.0
  Tl  Tl2  1  0.0  0.0  0.3  1.0
  Tl  Tl3  1  0.12  0.0  0.61  1.0
  Tc  Tc1  1  0.12  0.0  0.69  1.0

data_AlTl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.23
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   109.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Tc
_chemical_formula_sum   'Al1 Tl2 Tc1'
_cell_volume   83.7
_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
  Al  Al0  1  0.67  0.0  0.67  1.0
  Tl  Tl1  1  0.39  0.12  0.39  1.0
  Tl  Tl2  1  0.7  0.0  0.7  1.0
  Tc  Tc3  1  0.31  0.12  0.31  1.0

Al Tl Tl Tc
Al Tl Tl Tc 0 1 o o o 2 3 o o o 