data_La3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   116.51
_cell_angle_beta   116.51
_cell_angle_gamma   116.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Tl
_chemical_formula_sum   'La3 Tl1'
_cell_volume   131.48
_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  0.2  0.23  1.0
  La  La1  1  0.77  0.4  0.23  1.0
  La  La2  1  0.23  0.4  0.23  1.0
  Tl  Tl3  1  0.0  0.0  0.0  1.0

data_La3Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   116.51
_cell_angle_beta   100.9
_cell_angle_gamma   100.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Tl
_chemical_formula_sum   'La3 Tl1'
_cell_volume   131.48
_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  0.23  0.01  0.83  1.0
  La  La1  1  0.23  0.23  0.03  1.0
  La  La2  1  0.23  0.46  0.83  1.0
  Tl  Tl3  1  0.0  0.0  0.0  1.0

La La La Tl