data_[Sr4Be8Au40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.4524]
_cell_length_b [12.1099]
_cell_length_c [14.7171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sr(BeAu5)2]
_chemical_formula_sum '[Sr4 Be8 Au40]'
_cell_volume [971.7466]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.0000  1
  Be  Be1  8  0.2500  0.0000  0.2500  1
  Au  Au2  16  0.0000  0.1151  0.3660  1
  Au  Au3  16  0.0000  0.1498  0.1734  1
  Au  Au4  8  0.2500  0.2500  0.0000  1
]