data_[Ca4Pa8Cr4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pa  1.5000  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.6023]
_cell_length_b [6.6023]
_cell_length_c [11.0810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CaPa2CrN5]
_chemical_formula_sum '[Ca4 Pa8 Cr4 N20]'
_cell_volume [483.0285]
_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
[
  Ca  Ca0  4  0.0000  0.0000  0.2500  1
  Pa  Pa1  8  0.1786  0.3214  0.0000  1
  Cr  Cr2  4  0.0000  0.5000  0.2500  1
  N  N3  16  0.1437  0.3563  0.3629  1
  N  N4  4  0.0000  0.0000  0.0000  1
]