data_[Sm8Ta4Sn4N20]
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
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3112]
_cell_length_b [14.1009]
_cell_length_c [10.5143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2TaSnN5]
_chemical_formula_sum '[Sm8 Ta4 Sn4 N20]'
_cell_volume [490.9229]
_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  0.1180  0.7081  1.0
  Sm  Sm1  4  0.0000  0.1332  0.2792  1.0
  Ta  Ta2  4  0.0000  0.2267  0.0055  1.0
  Sn  Sn3  4  0.0000  0.4825  0.4724  1.0
  N  N4  4  0.0000  0.0696  0.0578  1.0
  N  N5  4  0.0000  0.2810  0.6399  1.0
  N  N6  4  0.0000  0.2981  0.3760  1.0
  N  N7  4  0.0000  0.3664  0.0069  1.0
  N  N8  4  0.0000  0.4988  0.7782  1.0
]