data_[Pa12Al3Ga15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7624]
_cell_length_b [4.7624]
_cell_length_c [33.0182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pa4AlGa5]
_chemical_formula_sum '[Pa12 Al3 Ga15]'
_cell_volume [648.5269]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1090  1
  Pa  Pa1  6  0.0000  0.0000  0.2979  1
  Al  Al2  3  -0.0000  -0.0000  0.5000  1
  Ga  Ga3  6  0.0000  0.0000  0.1984  1
  Ga  Ga4  6  0.0000  0.0000  0.4023  1
  Ga  Ga5  3  0.0000  0.0000  0.0000  1
]