data_LaTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   148.2
_cell_angle_beta   63.04
_cell_angle_gamma   127.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl3
_chemical_formula_sum   'La1 Tl3'
_cell_volume   121.02
_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  0.9  1.0
  Tl  Tl1  1  0.82  0.0  0.94  1.0
  Tl  Tl2  1  0.82  0.83  0.02  1.0
  Tl  Tl3  1  0.0  0.82  0.97  1.0

data_LaTl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.9
_cell_length_c   6.63
_cell_angle_alpha   116.44
_cell_angle_beta   105.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl3
_chemical_formula_sum   'La1 Tl3'
_cell_volume   121.02
_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  0.1  0.1  1.0
  Tl  Tl1  1  0.02  0.81  1.0  1.0
  Tl  Tl2  1  0.18  0.06  0.25  1.0
  Tl  Tl3  1  0.82  0.84  0.84  1.0

La Tl Tl Tl