data_KLa2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   3.61
_cell_angle_alpha   103.52
_cell_angle_beta   103.52
_cell_angle_gamma   120.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Au
_chemical_formula_sum   'K1 La2 Au1'
_cell_volume   130.18
_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
  K  K1  1  0.0  0.0  0.0  1.0
  La  La2  1  0.86  0.98  0.59  1.0
  La  La3  1  0.86  0.02  0.59  1.0
  Au  Au0  1  0.42  0.0  0.0  1.0

data_KLa2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   6.05
_cell_length_c   6.88
_cell_angle_alpha   115.0
_cell_angle_beta   103.52
_cell_angle_gamma   93.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Au
_chemical_formula_sum   'K1 La2 Au1'
_cell_volume   130.18
_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
  K  K0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.58  0.98  0.85  1.0
  La  La2  1  0.61  0.02  0.88  1.0
  Au  Au3  1  0.0  0.0  0.42  1.0

K La La Au