data_[Li8Sm6Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7773]
_cell_length_b [4.3077]
_cell_length_c [28.9323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4Sm3Au4]
_chemical_formula_sum '[Li8 Sm6 Au8]'
_cell_volume [470.7745]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.0945  1.0
  Li  Li1  4  0.0000  0.5000  0.2480  1.0
  Sm  Sm2  4  0.0000  0.0000  0.3561  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  Au  Au4  4  0.0000  0.0000  0.1849  1.0
  Au  Au5  4  0.0000  0.5000  0.0504  1.0
]