data_La2TlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   42.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlIr
_chemical_formula_sum   'La2 Tl1 Ir1'
_cell_volume   114.61
_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  La1  1  0.08  0.0  0.42  1.0
  La  La2  1  0.0  0.0  0.95  1.0
  Tl  Tl3  1  0.08  0.0  0.8  1.0
  Ir  Ir0  1  0.0  0.0  0.72  1.0

data_La2TlIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.63
_cell_length_c   6.38
_cell_angle_alpha   111.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlIr
_chemical_formula_sum   'La2 Tl1 Ir1'
_cell_volume   114.61
_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  0.95  0.95  1.0
  La  La1  1  0.92  0.42  0.42  1.0
  Tl  Tl2  1  0.92  0.8  0.8  1.0
  Ir  Ir3  1  0.0  0.72  0.72  1.0

La La Tl Ir