data_LiV2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.07
_cell_angle_alpha   99.4
_cell_angle_beta   99.4
_cell_angle_gamma   33.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Au
_chemical_formula_sum   'Li1 V2 Au1'
_cell_volume   58.65
_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  Li1  1  0.4  0.0  0.31  1.0
  V  V2  1  0.82  0.0  0.91  1.0
  V  V3  1  0.6  0.0  0.87  1.0
  Au  Au0  1  0.04  0.0  0.4  1.0

data_LiV2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.6
_cell_length_c   5.07
_cell_angle_alpha   99.4
_cell_angle_beta   90.0
_cell_angle_gamma   106.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Au
_chemical_formula_sum   'Li1 V2 Au1'
_cell_volume   58.65
_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  0.6  0.69  1.0
  V  V1  1  0.0  0.18  0.09  1.0
  V  V2  1  0.0  0.4  0.13  1.0
  Au  Au3  1  0.0  0.96  0.6  1.0

Li V V Au