data_[Ce8Mn4Cr4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  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 [3.3194]
_cell_length_b [13.5007]
_cell_length_c [9.4538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2MnCrN5]
_chemical_formula_sum '[Ce8 Mn4 Cr4 N20]'
_cell_volume [423.6638]
_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
[
  Ce  Ce0  4  0.0000  0.1294  0.6819  1.0
  Ce  Ce1  4  0.0000  0.1319  0.3046  1.0
  Mn  Mn2  4  0.0000  0.2035  0.0087  1.0
  Cr  Cr3  4  0.0000  0.4316  0.4613  1.0
  N  N4  4  0.0000  0.0515  0.0456  1.0
  N  N5  4  0.0000  0.2990  0.6470  1.0
  N  N6  4  0.0000  0.3065  0.3739  1.0
  N  N7  4  0.0000  0.3462  0.0038  1.0
  N  N8  4  0.0000  0.4919  0.2970  1.0
]