data_[Li2Be4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1194]
_cell_length_b [4.4310]
_cell_length_c [8.1436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(BeAu3)2]
_chemical_formula_sum '[Li2 Be4 Au12]'
_cell_volume [281.6654]
_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  2  0.0000  0.0000  0.5000  1.0
  Be  Be1  4  0.1752  0.5000  0.7716  1.0
  Au  Au2  4  0.0437  0.0000  0.1930  1.0
  Au  Au3  4  0.1291  0.5000  0.4483  1.0
  Au  Au4  4  0.1920  0.5000  0.0834  1.0
]