data_[Ce8Mn4Tc4N20]
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
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3737]
_cell_length_b [13.5360]
_cell_length_c [9.4869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2MnTcN5]
_chemical_formula_sum '[Ce8 Mn4 Tc4 N20]'
_cell_volume [433.2315]
_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  0.6885  1
  Ce  Ce1  4  0.0000  0.1302  0.3103  1
  Mn  Mn2  4  0.0000  0.4378  0.4582  1
  Tc  Tc3  4  0.0000  0.2003  0.0107  1
  N  N4  4  0.0000  0.0399  0.0364  1
  N  N5  4  0.0000  0.3014  0.6532  1
  N  N6  4  0.0000  0.3106  0.3703  1
  N  N7  4  0.0000  0.3476  0.0056  1
  N  N8  4  0.0000  0.4944  0.2906  1
]