data_[Sm4Mo4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4585]
_cell_length_b [3.7324]
_cell_length_c [6.4883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmMoN3]
_chemical_formula_sum '[Sm4 Mo4 N12]'
_cell_volume [286.7412]
_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  0.1230  0.5000  0.3237  1
  Mo  Mo1  4  0.1511  0.0000  0.8456  1
  N  N2  4  0.0011  0.0000  0.1048  1
  N  N3  4  0.1677  0.0000  0.5708  1
  N  N4  4  0.1773  0.5000  0.9885  1
]