# generated using pymatgen
data_SmFe12N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87115900
_cell_length_b   6.49205219
_cell_length_c   6.49205219
_cell_angle_alpha   81.90890160
_cell_angle_beta   67.96560077
_cell_angle_gamma   67.96560077
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmFe12N
_chemical_formula_sum   'Sm1 Fe12 N1'
_cell_volume   176.40754532
_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  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.13923900  0.36076100  0.36076100  1.0
  Fe  Fe2  1  0.86076100  0.63923900  0.63923900  1.0
  Fe  Fe3  1  0.50000000  0.63923900  0.36076100  1.0
  Fe  Fe4  1  0.50000000  0.36076100  0.63923900  1.0
  Fe  Fe5  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe6  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe7  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe8  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe9  1  0.22565300  0.77434700  0.77434700  1.0
  Fe  Fe10  1  0.77434700  0.22565300  0.22565300  1.0
  Fe  Fe11  1  0.00000000  0.22565300  0.77434700  1.0
  Fe  Fe12  1  0.00000000  0.77434700  0.22565300  1.0
  N  N13  1  0.00000000  0.00000000  0.00000000  1.0