data_[Ce8Tm4Ti4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  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 [3.4682]
_cell_length_b [13.5368]
_cell_length_c [10.9135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2TmTiN5]
_chemical_formula_sum '[Ce8 Tm4 Ti4 N20]'
_cell_volume [512.3694]
_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  0.1256  0.7054  1.0
  Ce  Ce1  4  0.0000  0.1325  0.2503  1.0
  Tm  Tm2  4  0.0000  0.2251  0.9884  1.0
  Ti  Ti3  4  0.0000  0.4944  0.4815  1.0
  N  N4  4  0.0000  0.0561  0.0406  1.0
  N  N5  4  0.0000  0.2833  0.6434  1.0
  N  N6  4  0.0000  0.2889  0.3454  1.0
  N  N7  4  0.0000  0.3815  0.0614  1.0
  N  N8  4  0.0000  0.4767  0.8075  1.0
]