data_[Pr4Ga4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0153]
_cell_length_b [5.1122]
_cell_length_c [9.2553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PrGaAu3]
_chemical_formula_sum '[Pr4 Ga4 Au12]'
_cell_volume [426.5592]
_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  0.2373  0.2500  0.0022  1.0
  Ga  Ga1  4  0.1004  0.2500  0.6644  1.0
  Au  Au2  4  0.0793  0.2500  0.3849  1.0
  Au  Au3  4  0.1013  0.7500  0.8539  1.0
  Au  Au4  4  0.1139  0.7500  0.1641  1.0
]