data_Li2FeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.83
_cell_angle_alpha   99.48
_cell_angle_beta   99.48
_cell_angle_gamma   33.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeAu
_chemical_formula_sum   'Li2 Fe1 Au1'
_cell_volume   58.81
_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
  Li  Li2  1  0.01  0.0  0.01  1.0
  Li  Li3  1  0.63  0.0  0.55  1.0
  Fe  Fe1  1  0.62  0.0  0.23  1.0
  Au  Au0  1  0.12  0.0  0.35  1.0

data_Li2FeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.74
_cell_length_c   4.83
_cell_angle_alpha   99.48
_cell_angle_beta   90.0
_cell_angle_gamma   106.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeAu
_chemical_formula_sum   'Li2 Fe1 Au1'
_cell_volume   58.81
_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
  Li  Li0  1  0.0  0.37  0.45  1.0
  Li  Li1  1  0.0  0.99  0.99  1.0
  Fe  Fe2  1  0.0  0.38  0.77  1.0
  Au  Au3  1  0.0  0.88  0.65  1.0

Li Li Fe Au