data_[Zr4Pa6P4N8]
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
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9559]
_cell_length_b [3.9559]
_cell_length_c [24.8207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Zr2Pa3(PN2)2]
_chemical_formula_sum '[Zr4 Pa6 P4 N8]'
_cell_volume [388.4304]
_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
[
  Zr  Zr0  4  0.0000  0.0000  0.4133  1
  Pa  Pa1  4  0.0000  0.0000  0.1969  1
  Pa  Pa2  2  0.0000  0.0000  0.0000  1
  P  P3  4  0.0000  0.0000  0.3071  1
  N  N4  8  0.0000  0.5000  0.0548  1
]