data_[Pr4Be4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0702]
_cell_length_b [7.1319]
_cell_length_c [5.2310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrBeAu4]
_chemical_formula_sum '[Pr4 Be4 Au16]'
_cell_volume [485.8815]
_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
[
  Pr  Pr0  4  0.0000  0.2165  0.7500  1
  Be  Be1  4  0.2500  0.2500  0.5000  1
  Au  Au2  8  0.1057  0.3881  0.2794  1
  Au  Au3  8  0.1971  0.0605  0.1074  1
]