data_SmFe12N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   98.09
_cell_angle_beta   98.09
_cell_angle_gamma   135.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmFe12N
_chemical_formula_sum   'Sm1 Fe12 N1'
_cell_volume   176.41
_cell_formula_units_Z   1
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  1  0.0  0.0  0.44  1.0
  Fe  Fe1  1  0.18  0.26  0.0  1.0
  Fe  Fe2  1  0.07  0.0  0.44  1.0
  Fe  Fe3  1  0.26  0.18  0.0  1.0
  Fe  Fe4  1  0.0  0.07  0.44  1.0
  Fe  Fe5  1  0.13  0.13  0.22  1.0
  Fe  Fe6  1  0.13  0.13  0.78  1.0
  Fe  Fe7  1  0.87  0.13  0.22  1.0
  Fe  Fe8  1  0.13  0.87  0.22  1.0
  Fe  Fe9  1  0.92  0.0  0.0  1.0
  Fe  Fe10  1  0.59  0.0  0.0  1.0
  Fe  Fe11  1  0.0  0.92  0.0  1.0
  Fe  Fe12  1  0.0  0.59  0.0  1.0
  N  N13  1  0.0  0.0  0.0  1.0

data_SmFe12N
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   12.04
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   112.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SmFe12N
_chemical_formula_sum   'Sm2 Fe24 N2'
_cell_volume   352.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.56  1.0
  Fe  Fe1  4  -0.0  0.13  0.78  1.0
  Fe  Fe2  4  0.04  0.04  0.0  1.0
  Fe  Fe3  4  0.2  0.2  0.0  1.0
  Fe  Fe4  4  0.28  0.46  0.0  1.0
  Fe  Fe5  4  0.46  0.46  0.56  1.0
  Fe  Fe6  2  0.37  0.5  0.22  1.0
  Fe  Fe7  2  0.37  0.5  0.78  1.0
  N  N8  2  0.0  0.0  0.0  1.0

Sm Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe N