data_[Cs2U2Fe2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3553]
_cell_length_b [3.4922]
_cell_length_c [8.4883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsUFeN3]
_chemical_formula_sum '[Cs2 U2 Fe2 N6]'
_cell_volume [230.1668]
_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
[
  Cs  Cs0  2  0.2142  0.7500  0.2447  1
  U  U1  2  0.3302  0.2500  0.8472  1
  Fe  Fe2  2  0.0650  0.7500  0.6017  1
  N  N3  2  0.1454  0.2500  0.5716  1
  N  N4  2  0.1685  0.7500  0.8421  1
  N  N5  2  0.4928  0.2500  0.1245  1
]