data_[Pr12Sn12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7096]
_cell_length_b [11.4908]
_cell_length_c [15.8221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Sn3Au2]
_chemical_formula_sum '[Pr12 Sn12 Au8]'
_cell_volume [856.2355]
_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  0.0000  0.0822  0.6105  1.0
  Pr  Pr1  4  0.0000  0.3532  0.7500  1.0
  Sn  Sn2  8  0.0000  0.3803  0.5402  1.0
  Sn  Sn3  4  0.0000  0.3615  0.2500  1.0
  Au  Au4  8  0.0000  0.2128  0.1051  1.0
]