data_La3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   146.13
_cell_angle_beta   131.39
_cell_angle_gamma   60.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Tl
_chemical_formula_sum   'La3 Tl1'
_cell_volume   137.52
_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  0.02  0.0  0.28  1.0
  La  La1  1  0.0  0.85  0.7  1.0
  La  La2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.98  1.0

data_La3Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   5.7
_cell_length_c   6.92
_cell_angle_alpha   114.31
_cell_angle_beta   106.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Tl
_chemical_formula_sum   'La3 Tl1'
_cell_volume   137.52
_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  0.0  1.0
  La  La1  1  0.0  0.28  0.27  1.0
  La  La2  1  0.15  0.85  0.85  1.0
  Tl  Tl3  1  0.0  0.98  0.98  1.0

La La La Tl