data_[Be2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [7.5220]
_cell_length_b [7.5220]
_cell_length_c [17.6494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [BeAu5]
_chemical_formula_sum '[Be2 Au10]'
_cell_volume [864.8256]
_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
[
  Be  Be0  2  0.3333  0.6667  0.4560  1
  Au  Au1  6  0.2111  0.4221  0.5539  1
  Au  Au2  3  0.0000  0.5000  0.4038  1
  Au  Au3  1  0.0000  0.0000  0.5532  1
]