data_[Zr6Pa15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1906]
_cell_length_b [5.1906]
_cell_length_c [21.8426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zr2Pa5]
_chemical_formula_sum '[Zr6 Pa15]'
_cell_volume [509.6477]
_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
[
  Zr  Zr0  6  0.0000  0.0000  0.3582  1
  Pa  Pa1  6  0.0000  0.0000  0.2144  1
  Pa  Pa2  6  0.0000  0.0000  0.9288  1
  Pa  Pa3  3  -0.0000  -0.0000  0.5000  1
]