data_[Sm8Ti4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3360]
_cell_length_b [13.3382]
_cell_length_c [10.3003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2TiMoN5]
_chemical_formula_sum '[Sm8 Ti4 Mo4 N20]'
_cell_volume [458.3245]
_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  0.1114  0.6848  1.0
  Sm  Sm1  4  0.0000  0.1464  0.2987  1.0
  Ti  Ti2  4  0.0000  0.2211  0.0163  1.0
  Mo  Mo3  4  0.0000  0.4640  0.4564  1.0
  N  N4  4  0.0000  0.0508  0.0485  1.0
  N  N5  4  0.0000  0.2832  0.6487  1.0
  N  N6  4  0.0000  0.3188  0.3845  1.0
  N  N7  4  0.0000  0.3656  0.0019  1.0
  N  N8  4  0.0000  0.4919  0.7842  1.0
]