data_[Pa6Al2Ni10]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.9800]
_cell_length_b [7.9800]
_cell_length_c [5.5706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Pa3AlNi5]
_chemical_formula_sum '[Pa6 Al2 Ni10]'
_cell_volume [307.2106]
_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  6  0.0000  0.3607  0.2500  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  6  0.0000  0.2942  0.7500  1
  Ni  Ni3  4  0.3333  0.6667  0.5000  1
]