data_[Pa8V4Cr4N20]
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
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3000]
_cell_length_b [12.8955]
_cell_length_c [9.7017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa2VCrN5]
_chemical_formula_sum '[Pa8 V4 Cr4 N20]'
_cell_volume [412.8601]
_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  0.1123  0.6788  1
  Pa  Pa1  4  0.0000  0.1440  0.3021  1
  V  V2  4  0.0000  0.4523  0.4649  1
  Cr  Cr3  4  0.0000  0.2045  0.0056  1
  N  N4  4  0.0000  0.0557  0.0624  1
  N  N5  4  0.0000  0.2853  0.6551  1
  N  N6  4  0.0000  0.3138  0.3733  1
  N  N7  4  0.0000  0.3693  0.0010  1
  N  N8  4  0.0000  0.4955  0.7809  1
]