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 [P2_1/c]
_cell_length_a [7.1722]
_cell_length_b [5.1422]
_cell_length_c [10.7104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YBeAu3]
_chemical_formula_sum '[Y4 Be4 Au12]'
_cell_volume [369.6576]
_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  0.3129  0.6176  0.3314  1.0
  Be  Be1  4  0.1057  0.6711  0.0249  1.0
  Au  Au2  4  0.1020  0.1117  0.3507  1.0
  Au  Au3  4  0.2120  0.1010  0.1118  1.0
  Au  Au4  4  0.4577  0.6272  0.1059  1.0
]