data_LaTlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.95
_cell_angle_alpha   103.28
_cell_angle_beta   103.28
_cell_angle_gamma   41.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlIn2
_chemical_formula_sum   'La1 Tl1 In2'
_cell_volume   118.31
_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  La2  1  0.49  0.0  0.88  1.0
  Tl  Tl3  1  0.39  0.0  0.28  1.0
  In  In0  1  0.92  0.0  0.73  1.0
  In  In1  1  0.55  0.0  0.53  1.0

data_LaTlIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.56
_cell_length_c   5.95
_cell_angle_alpha   103.28
_cell_angle_beta   90.0
_cell_angle_gamma   110.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlIn2
_chemical_formula_sum   'La1 Tl1 In2'
_cell_volume   118.31
_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  0.51  0.12  1.0
  Tl  Tl1  1  0.0  0.61  0.72  1.0
  In  In2  1  0.0  0.08  0.27  1.0
  In  In3  1  0.0  0.45  0.47  1.0

La Tl In In