data_[Be4Cu10Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3516]
_cell_length_b [7.5774]
_cell_length_c [6.5566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2Cu5Au12]
_chemical_formula_sum '[Be4 Cu10 Au24]'
_cell_volume [609.6498]
_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  4  0.0000  0.2457  0.0000  1.0
  Cu  Cu1  4  0.1830  0.5000  0.9581  1.0
  Cu  Cu2  4  0.2410  0.0000  0.5826  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  8  0.1130  0.2991  0.6003  1.0
  Au  Au5  8  0.1693  0.1913  0.2150  1.0
  Au  Au6  4  0.0387  0.5000  0.2161  1.0
  Au  Au7  4  0.0977  0.0000  0.8634  1.0
]