data_[Ce8Tm4Ta4N20]
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
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4851]
_cell_length_b [13.7772]
_cell_length_c [10.6161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2TmTaN5]
_chemical_formula_sum '[Ce8 Tm4 Ta4 N20]'
_cell_volume [509.7328]
_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  0.1133  0.6968  1
  Ce  Ce1  4  0.0000  0.1445  0.2772  1
  Tm  Tm2  4  0.0000  0.2190  0.9985  1
  Ta  Ta3  4  0.0000  0.4806  0.4674  1
  N  N4  4  0.0000  0.0532  0.0497  1
  N  N5  4  0.0000  0.2804  0.6615  1
  N  N6  4  0.0000  0.3183  0.3659  1
  N  N7  4  0.0000  0.3819  0.0203  1
  N  N8  4  0.0000  0.4876  0.7868  1
]