data_[Li4Sm6Au8]
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 [C2/m]
_cell_length_a [9.7994]
_cell_length_b [4.8125]
_cell_length_c [8.8231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Sm3Au4]
_chemical_formula_sum '[Li4 Sm6 Au8]'
_cell_volume [398.9563]
_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  0.2031  0.5000  0.3747  1.0
  Sm  Sm1  4  0.1329  0.5000  0.7139  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0750  0.0000  0.3721  1.0
  Au  Au4  4  0.2125  0.5000  0.0802  1.0
]