data_[Sm8Ta4Ti4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ta  1.5000  1.4500  0.8200
  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 [3.3114]
_cell_length_b [13.4149]
_cell_length_c [10.4694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2TaTiN5]
_chemical_formula_sum '[Sm8 Ta4 Ti4 N20]'
_cell_volume [465.0648]
_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
[
  Sm  Sm0  4  0.0000  0.1062  0.6912  1
  Sm  Sm1  4  0.0000  0.1392  0.2905  1
  Ta  Ta2  4  0.0000  0.2182  0.0086  1
  Ti  Ti3  4  0.0000  0.4773  0.4634  1
  N  N4  4  0.0000  0.0565  0.0481  1
  N  N5  4  0.0000  0.2796  0.6489  1
  N  N6  4  0.0000  0.3106  0.3885  1
  N  N7  4  0.0000  0.3692  0.9994  1
  N  N8  4  0.0000  0.4964  0.7854  1
]