data_[Pr4Zn12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4377]
_cell_length_b [4.2891]
_cell_length_c [7.7209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrZn3Au2]
_chemical_formula_sum '[Pr4 Zn12 Au8]'
_cell_volume [486.0886]
_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  0.1409  0.0000  0.0554  1.0
  Zn  Zn1  4  0.0445  0.0000  0.3967  1.0
  Zn  Zn2  4  0.1007  0.5000  0.6804  1.0
  Zn  Zn3  4  0.1911  0.5000  0.4647  1.0
  Au  Au4  4  0.0218  0.5000  0.1915  1.0
  Au  Au5  4  0.2059  0.0000  0.7178  1.0
]