data_[Ca2Pa2Cr2N8]
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 [P2_1/m]
_cell_length_a [5.7697]
_cell_length_b [5.4382]
_cell_length_c [6.7660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaPaCrN4]
_chemical_formula_sum '[Ca2 Pa2 Cr2 N8]'
_cell_volume [204.0018]
_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
[
  Ca  Ca0  2  0.3026  0.2500  0.0839  1
  Pa  Pa1  2  0.2238  0.2500  0.5586  1
  Cr  Cr2  2  0.2380  0.7500  0.3089  1
  N  N3  4  0.0314  0.5038  0.2887  1
  N  N4  2  0.4322  0.7500  0.5582  1
  N  N5  2  0.4477  0.7500  0.1611  1
]