data_[Pr16Mg4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.1082]
_cell_length_b [16.3158]
_cell_length_c [7.1805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.6480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Pr4MgAu2]
_chemical_formula_sum '[Pr16 Mg4 Au8]'
_cell_volume [844.8930]
_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  0.1831  0.3299  0.7708  1.0
  Pr  Pr1  4  0.4125  0.0253  0.3970  1.0
  Pr  Pr2  4  0.4463  0.4662  0.2828  1.0
  Pr  Pr3  4  0.4639  0.2562  0.5486  1.0
  Mg  Mg4  4  0.1723  0.1378  0.5876  1.0
  Au  Au5  4  0.1803  0.4023  0.3737  1.0
  Au  Au6  4  0.2664  0.1641  0.0392  1.0
]