data_LaTl2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.22
_cell_angle_alpha   112.46
_cell_angle_beta   112.46
_cell_angle_gamma   44.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Au
_chemical_formula_sum   'La1 Tl2 Au1'
_cell_volume   110.37
_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  0.57  0.0  0.33  1.0
  Tl  Tl2  1  0.49  0.0  0.71  1.0
  Tl  Tl3  1  0.88  0.0  0.53  1.0
  Au  Au0  1  0.34  0.0  0.32  1.0

data_LaTl2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   5.22
_cell_length_c   5.76
_cell_angle_alpha   112.46
_cell_angle_beta   112.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Au
_chemical_formula_sum   'La1 Tl2 Au1'
_cell_volume   110.37
_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  0.33  0.57  1.0
  Tl  Tl1  1  0.0  0.53  0.88  1.0
  Tl  Tl2  1  0.0  0.71  0.49  1.0
  Au  Au3  1  0.0  0.32  0.34  1.0

La Tl Tl Au
La Tl Tl Au 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 