data_[Y4Be4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3252]
_cell_length_b [4.3492]
_cell_length_c [6.7507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YBeAu3]
_chemical_formula_sum '[Y4 Be4 Au12]'
_cell_volume [390.1699]
_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
[
  Y  Y0  4  0.1580  0.0000  0.5663  1
  Be  Be1  4  0.1091  0.5000  0.8688  1
  Au  Au2  4  0.0328  0.0000  0.8175  1
  Au  Au3  4  0.1016  0.5000  0.2223  1
  Au  Au4  4  0.2302  0.0000  0.1496  1
]