data_LiMoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   152.55
_cell_angle_beta   130.51
_cell_angle_gamma   57.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMoAu2
_chemical_formula_sum   'Li1 Mo1 Au2'
_cell_volume   68.59
_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  0.0  0.0  0.98  1.0
  Mo  Mo3  1  0.0  0.44  0.71  1.0
  Au  Au0  1  0.0  0.0  0.19  1.0
  Au  Au1  1  0.38  0.0  0.53  1.0

data_LiMoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.87
_cell_length_c   5.82
_cell_angle_alpha   114.75
_cell_angle_beta   103.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMoAu2
_chemical_formula_sum   'Li1 Mo1 Au2'
_cell_volume   68.59
_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  0.98  0.98  1.0
  Mo  Mo1  1  0.56  0.27  0.27  1.0
  Au  Au2  1  0.0  0.19  0.19  1.0
  Au  Au3  1  0.0  0.53  0.15  1.0

Li Mo Au Au