data_[Ce8Tm4Hf4N20]
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
  Hf  1.3000  1.5500  0.8500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5523]
_cell_length_b [13.7159]
_cell_length_c [11.2111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2TmHfN5]
_chemical_formula_sum '[Ce8 Tm4 Hf4 N20]'
_cell_volume [546.2373]
_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  0.1291  0.7086  1.0
  Ce  Ce1  4  0.0000  0.1350  0.2413  1.0
  Tm  Tm2  4  0.0000  0.2351  0.9871  1.0
  Hf  Hf3  4  0.0000  0.4893  0.4802  1.0
  N  N4  4  0.0000  0.0697  0.0385  1.0
  N  N5  4  0.0000  0.2784  0.6412  1.0
  N  N6  4  0.0000  0.2871  0.3475  1.0
  N  N7  4  0.0000  0.3841  0.0752  1.0
  N  N8  4  0.0000  0.4646  0.8043  1.0
]