data_[Pa4Ga16Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.3003]
_cell_length_b [6.3003]
_cell_length_c [11.2706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pa4Ga16Au3]
_chemical_formula_sum '[Pa4 Ga16 Au3]'
_cell_volume [447.3657]
_cell_formula_units_Z [1]
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
[
  Pa  Pa0  4  0.0000  0.5000  0.1858  1
  Ga  Ga1  8  0.2579  0.2579  0.3689  1
  Ga  Ga2  4  0.2907  0.2907  0.0000  1
  Ga  Ga3  2  0.0000  0.0000  0.2335  1
  Ga  Ga4  2  0.5000  0.5000  0.1966  1
  Au  Au5  2  0.0000  0.5000  0.5000  1
  Au  Au6  1  0.0000  0.0000  0.0000  1
]