data_LaPt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   135.17
_cell_angle_beta   134.07
_cell_angle_gamma   66.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPt2Au
_chemical_formula_sum   'La1 Pt2 Au1'
_cell_volume   79.99
_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  0.0  0.0  0.83  1.0
  Pt  Pt2  1  0.07  0.0  0.04  1.0
  Pt  Pt3  1  0.0  0.0  0.27  1.0
  Au  Au0  1  0.07  0.0  0.52  1.0

data_LaPt2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.24
_cell_length_c   5.43
_cell_angle_alpha   112.97
_cell_angle_beta   112.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPt2Au
_chemical_formula_sum   'La1 Pt2 Au1'
_cell_volume   79.99
_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  0.83  0.83  1.0
  Pt  Pt1  1  0.0  0.04  0.97  1.0
  Pt  Pt2  1  0.0  0.27  0.27  1.0
  Au  Au3  1  0.0  0.52  0.45  1.0

La Pt Pt Au