data_LiY2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   146.74
_cell_angle_beta   133.22
_cell_angle_gamma   58.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Au
_chemical_formula_sum   'Li1 Y2 Au1'
_cell_volume   98.52
_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  0.0  0.0  0.67  1.0
  Y  Y2  1  0.8  0.0  0.04  1.0
  Y  Y3  1  0.0  0.0  0.15  1.0
  Au  Au0  1  0.0  0.5  0.1  1.0

data_LiY2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.99
_cell_length_c   6.29
_cell_angle_alpha   113.39
_cell_angle_beta   106.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Au
_chemical_formula_sum   'Li1 Y2 Au1'
_cell_volume   98.52
_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  0.33  0.33  0.33  1.0
  Y  Y1  1  0.76  0.96  0.76  1.0
  Y  Y2  1  0.85  0.85  0.85  1.0
  Au  Au3  1  0.9  0.39  0.39  1.0

Li Y Y Au