data_[Be4In4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.1304]
_cell_length_b [5.3920]
_cell_length_c [4.7785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BeInAu4]
_chemical_formula_sum '[Be4 In4 Au16]'
_cell_volume [432.1007]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.0000  1
  In  In1  4  0.0000  0.2002  0.2500  1
  Au  Au2  8  0.1010  0.3435  0.8186  1
  Au  Au3  8  0.1788  0.1450  0.3696  1
]