data_LaTaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   135.42
_cell_angle_beta   135.42
_cell_angle_gamma   64.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaAu2
_chemical_formula_sum   'La1 Ta1 Au2'
_cell_volume   86.95
_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  La2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.14  0.0  0.38  1.0
  Au  Au0  1  0.0  0.0  0.76  1.0
  Au  Au1  1  0.0  0.14  0.38  1.0

data_LaTaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.64
_cell_angle_alpha   112.29
_cell_angle_beta   112.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaAu2
_chemical_formula_sum   'La1 Ta1 Au2'
_cell_volume   86.95
_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
  Ta  Ta1  1  0.38  0.24  0.24  1.0
  Au  Au2  1  0.24  0.38  0.24  1.0
  Au  Au3  1  0.76  0.76  0.76  1.0

La Ta Au Au