data_LiMg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   139.85
_cell_angle_beta   131.3
_cell_angle_gamma   64.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Au
_chemical_formula_sum   'Li1 Mg2 Au1'
_cell_volume   72.86
_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  0.11  1.0
  Mg  Mg2  1  0.83  0.0  0.48  1.0
  Mg  Mg3  1  0.0  0.0  0.87  1.0
  Au  Au0  1  0.83  0.0  0.06  1.0

data_LiMg2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.41
_cell_length_c   5.34
_cell_angle_alpha   114.35
_cell_angle_beta   110.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Au
_chemical_formula_sum   'Li1 Mg2 Au1'
_cell_volume   72.86
_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  0.11  0.11  1.0
  Mg  Mg1  1  0.0  0.48  0.65  1.0
  Mg  Mg2  1  0.0  0.87  0.87  1.0
  Au  Au3  1  0.0  0.06  0.22  1.0

Li Mg Mg Au