data_Li2YAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   128.77
_cell_angle_beta   124.35
_cell_angle_gamma   79.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YAu
_chemical_formula_sum   'Li2 Y1 Au1'
_cell_volume   80.39
_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  0.05  1.0
  Li  Li2  1  0.0  0.36  0.04  1.0
  Y  Y3  1  0.0  0.0  0.87  1.0
  Au  Au0  1  0.19  0.0  0.84  1.0

data_Li2YAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.72
_cell_length_c   5.05
_cell_angle_alpha   117.83
_cell_angle_beta   115.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YAu
_chemical_formula_sum   'Li2 Y1 Au1'
_cell_volume   80.39
_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  0.05  0.05  1.0
  Li  Li1  1  0.64  0.68  0.68  1.0
  Y  Y2  1  0.0  0.87  0.87  1.0
  Au  Au3  1  0.0  0.84  0.65  1.0

Li Li Y Au
Li Li Y Au 0 2 o o - 1 2 o o - 2 3 o o o 