data_[Be4Ga4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5758]
_cell_length_b [6.3949]
_cell_length_c [5.7442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeGaAu4]
_chemical_formula_sum '[Be4 Ga4 Au16]'
_cell_volume [427.7148]
_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  0.1317  0.5000  0.8735  1
  Ga  Ga1  4  0.1184  0.0000  0.3564  1
  Au  Au2  8  0.2475  0.2343  0.7572  1
  Au  Au3  4  0.0000  0.2756  0.0000  1
  Au  Au4  4  0.0000  0.2821  0.5000  1
]