data_[Pa2Al2Ga8]
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 [C2/m]
_cell_length_a [5.7446]
_cell_length_b [8.8661]
_cell_length_c [4.9690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaAlGa4]
_chemical_formula_sum '[Pa2 Al2 Ga8]'
_cell_volume [238.0086]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Al  Al1  2  0.0000  0.5000  0.5000  1
  Ga  Ga2  4  0.0000  0.1951  0.5000  1
  Ga  Ga3  4  0.0000  0.3474  0.0000  1
]