data_[Ce8Dy4Ti4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5065]
_cell_length_b [13.5400]
_cell_length_c [11.1569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2DyTiN5]
_chemical_formula_sum '[Ce8 Dy4 Ti4 N20]'
_cell_volume [529.7079]
_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  0.1276  0.7079  1.0
  Ce  Ce1  4  0.0000  0.1321  0.2425  1.0
  Dy  Dy2  4  0.0000  0.2309  0.9850  1.0
  Ti  Ti3  4  0.0000  0.4962  0.4832  1.0
  N  N4  4  0.0000  0.0576  0.0360  1.0
  N  N5  4  0.0000  0.2815  0.6400  1.0
  N  N6  4  0.0000  0.2860  0.3405  1.0
  N  N7  4  0.0000  0.3848  0.0728  1.0
  N  N8  4  0.0000  0.4659  0.8160  1.0
]