data_[Li1Be1Au6]
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 [P-1]
_cell_length_a [4.8344]
_cell_length_b [5.3366]
_cell_length_c [5.8792]
_cell_angle_alpha [67.3852]
_cell_angle_beta [81.4421]
_cell_angle_gamma [87.6581]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiBeAu6]
_chemical_formula_sum '[Li1 Be1 Au6]'
_cell_volume [138.4379]
_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  0.5000  0.5000  0.5000  1.0
  Be  Be1  1  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.0251  0.5295  0.2414  1.0
  Au  Au3  2  0.2246  0.0381  0.6079  1.0
  Au  Au4  2  0.4085  0.2225  0.0518  1.0
]