data_La2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13
_cell_length_b   9.13
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   156.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Tl
_chemical_formula_sum   'La4 Tl2'
_cell_volume   192.04
_cell_formula_units_Z   2
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  0.89  0.29  0.25  1.0
  La  La1  1  0.89  0.09  0.25  1.0
  La  La2  1  0.89  0.71  0.42  1.0
  La  La3  1  0.89  0.91  0.42  1.0
  Tl  Tl4  1  0.89  0.05  0.25  1.0
  Tl  Tl5  1  0.89  0.95  0.42  1.0

data_La2Tl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.79
_cell_length_b   5.67
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   101.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   La2Tl
_chemical_formula_sum   'La4 Tl2'
_cell_volume   192.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.09  0.58  0.09  1.0
  La  La1  2  0.29  0.58  0.29  1.0
  Tl  Tl2  2  0.05  0.58  0.05  1.0

La La La La Tl Tl
La La La La Tl Tl 0 4 o o o 0 1 o o o 1 4 o o o 2 5 o o o 2 3 o o o 3 5 o o o 