data_[Pr24Mg4Au12]
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 [Cmc2_1]
_cell_length_a [12.3392]
_cell_length_b [13.8189]
_cell_length_c [7.2691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr6MgAu3]
_chemical_formula_sum '[Pr24 Mg4 Au12]'
_cell_volume [1239.4756]
_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  8  0.1667  0.4603  0.8283  1.0
  Pr  Pr1  8  0.2322  0.2045  0.6591  1.0
  Pr  Pr2  4  0.0000  0.0557  0.3797  1.0
  Pr  Pr3  4  0.0000  0.2291  0.9478  1.0
  Mg  Mg4  4  0.0000  0.3235  0.4817  1.0
  Au  Au5  8  0.1727  0.0866  0.0439  1.0
  Au  Au6  4  0.0000  0.4147  0.1428  1.0
]