data_[Y12Zr3Pa9N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9180]
_cell_length_b [6.9180]
_cell_length_c [16.9938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y4ZrPa3N8]
_chemical_formula_sum '[Y12 Zr3 Pa9 N24]'
_cell_volume [704.3422]
_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
[
  Y  Y0  9  0.0000  0.5000  0.0000  1
  Y  Y1  3  -0.0000  -0.0000  0.0000  1
  Zr  Zr2  3  0.0000  0.0000  0.5000  1
  Pa  Pa3  9  0.0000  0.5000  0.5000  1
  N  N4  18  0.0001  0.5000  0.2445  1
  N  N5  6  0.0000  0.0000  0.2470  1
]