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 [9.1398]
_cell_length_b [4.9893]
_cell_length_c [9.2646]
_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 [422.4796]
_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  0.2371  0.2500  0.9972  1
  Ga  Ga1  4  0.1015  0.2500  0.3343  1
  Au  Au2  4  0.0784  0.2500  0.6150  1
  Au  Au3  4  0.1015  0.7500  0.1471  1
  Au  Au4  4  0.1129  0.7500  0.8344  1
]