data_[Pa8V4Re4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  V  1.6300  1.3500  0.7775
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3628]
_cell_length_b [12.9619]
_cell_length_c [9.7073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa2VReN5]
_chemical_formula_sum '[Pa8 V4 Re4 N20]'
_cell_volume [423.1275]
_cell_formula_units_Z [4]
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  4  0.0000  0.1114  0.6826  1
  Pa  Pa1  4  0.0000  0.1430  0.3033  1
  V  V2  4  0.0000  0.4543  0.4646  1
  Re  Re3  4  0.0000  0.2039  0.0050  1
  N  N4  4  0.0000  0.0506  0.0630  1
  N  N5  4  0.0000  0.2871  0.6533  1
  N  N6  4  0.0000  0.3143  0.3678  1
  N  N7  4  0.0000  0.3721  0.0039  1
  N  N8  4  0.0000  0.4938  0.7806  1
]