data_[Pr6Mg4Au8]
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 [C2/m]
_cell_length_a [10.4768]
_cell_length_b [4.5891]
_cell_length_c [9.3556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(MgAu2)2]
_chemical_formula_sum '[Pr6 Mg4 Au8]'
_cell_volume [448.8445]
_cell_formula_units_Z [2]
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  0.1257  0.5000  0.3880  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.1796  0.5000  0.7828  1
  Au  Au3  4  0.0831  0.0000  0.6369  1
  Au  Au4  4  0.2009  0.5000  0.0825  1
]