data_[Li6Sm3Ge6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3893]
_cell_length_b [4.3893]
_cell_length_c [23.4641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2Sm(GeAu)2]
_chemical_formula_sum '[Li6 Sm3 Ge6 Au6]'
_cell_volume [391.4971]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1419  1.0
  Sm  Sm1  3  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  6  0.0000  0.0000  0.2574  1.0
  Au  Au3  6  0.0000  0.0000  0.4315  1.0
]