data_LaCu2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.28
_cell_angle_alpha   110.76
_cell_angle_beta   110.76
_cell_angle_gamma   49.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCu2Au
_chemical_formula_sum   'La1 Cu2 Au1'
_cell_volume   80.94
_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  0.0  1.0
  Cu  Cu1  1  0.62  0.0  0.08  1.0
  Cu  Cu2  1  0.79  0.0  0.78  1.0
  Au  Au0  1  0.21  0.0  0.43  1.0

data_LaCu2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.67
_cell_length_c   5.28
_cell_angle_alpha   110.76
_cell_angle_beta   90.0
_cell_angle_gamma   114.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCu2Au
_chemical_formula_sum   'La1 Cu2 Au1'
_cell_volume   80.94
_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  0.0  1.0
  Cu  Cu1  1  0.0  0.21  0.22  1.0
  Cu  Cu2  1  0.0  0.38  0.92  1.0
  Au  Au3  1  0.0  0.79  0.57  1.0

La Cu Cu Au