data_LaIn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.84
_cell_angle_alpha   112.86
_cell_angle_beta   112.86
_cell_angle_gamma   54.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2Au
_chemical_formula_sum   'La1 In2 Au1'
_cell_volume   105.29
_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  0.18  0.0  0.69  1.0
  In  In1  1  0.23  0.0  0.1  1.0
  In  In2  1  0.96  0.0  0.01  1.0
  Au  Au0  1  0.27  0.0  0.33  1.0

data_LaIn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.96
_cell_length_c   5.84
_cell_angle_alpha   112.86
_cell_angle_beta   90.0
_cell_angle_gamma   117.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2Au
_chemical_formula_sum   'La1 In2 Au1'
_cell_volume   105.29
_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  0.82  0.31  1.0
  In  In1  1  0.0  0.04  0.99  1.0
  In  In2  1  0.0  0.77  0.9  1.0
  Au  Au3  1  0.0  0.73  0.67  1.0

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