data_[Ce8Ta4Mn4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2665]
_cell_length_b [13.0196]
_cell_length_c [10.3630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2TaMnN5]
_chemical_formula_sum '[Ce8 Ta4 Mn4 N20]'
_cell_volume [440.7273]
_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  0.1050  0.6886  1
  Ce  Ce1  4  0.0000  0.1438  0.3018  1
  Ta  Ta2  4  0.0000  0.2085  0.0116  1
  Mn  Mn3  4  0.0000  0.4791  0.4595  1
  N  N4  4  0.0000  0.0488  0.0529  1
  N  N5  4  0.0000  0.2816  0.6499  1
  N  N6  4  0.0000  0.3221  0.3799  1
  N  N7  4  0.0000  0.3676  0.9978  1
  N  N8  4  0.0000  0.4883  0.7821  1
]