data_[Ca2Dy2Pa4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.9276]
_cell_length_b [4.9276]
_cell_length_c [9.9188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [CaDy(PaN2)2]
_chemical_formula_sum '[Ca2 Dy2 Pa4 N8]'
_cell_volume [240.8403]
_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  0.0000  0.5000  0.2500  1
  Dy  Dy1  2  0.0000  0.0000  0.0000  1
  Pa  Pa2  2  0.0000  0.0000  0.5000  1
  Pa  Pa3  2  0.0000  0.5000  0.7500  1
  N  N4  4  0.0000  0.0000  0.2605  1
  N  N5  4  0.0000  0.5000  0.5131  1
]