data_LiVAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.3
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVAu2
_chemical_formula_sum   'Li1 V1 Au2'
_cell_volume   64.47
_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  0.58  1.0
  V  V3  1  0.35  0.15  0.33  1.0
  Au  Au0  1  0.0  0.0  0.29  1.0
  Au  Au1  1  0.35  0.15  0.67  1.0

data_LiVAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.3
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVAu2
_chemical_formula_sum   'Li1 V1 Au2'
_cell_volume   64.47
_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  0.0  0.58  1.0
  V  V1  1  0.35  0.15  0.33  1.0
  Au  Au2  1  0.0  0.0  0.29  1.0
  Au  Au3  1  0.35  0.15  0.67  1.0

Li V Au Au
Li V Au Au 0 3 o o o 1 2 o o o 