data_LaIn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   34.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2Au
_chemical_formula_sum   'La1 In2 Au1'
_cell_volume   107.87
_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  La3  1  0.0  0.0  0.18  1.0
  In  In1  1  0.0  0.0  0.34  1.0
  In  In2  1  0.25  0.0  0.25  1.0
  Au  Au0  1  0.25  0.0  0.5  1.0

data_LaIn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.5
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2Au
_chemical_formula_sum   'La1 In2 Au1'
_cell_volume   107.87
_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  0.82  0.0  0.82  1.0
  In  In1  1  0.66  0.0  0.66  1.0
  In  In2  1  0.75  0.25  0.75  1.0
  Au  Au3  1  0.5  0.25  0.5  1.0

La In In Au
La In In Au 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 