# generated using pymatgen
data_SmFeB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49028581
_cell_length_b   5.96401693
_cell_length_c   11.55680883
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmFeB4
_chemical_formula_sum   'Sm4 Fe4 B16'
_cell_volume   240.56796174
_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  1  0.00000000  0.37379536  0.65052048  1.0
  Sm  Sm1  1  0.00000000  0.62620464  0.34947952  1.0
  Sm  Sm2  1  0.00000000  0.87379536  0.84947952  1.0
  Sm  Sm3  1  -0.00000000  0.12620464  0.15052048  1.0
  Fe  Fe4  1  -0.00000000  0.37320545  0.91731044  1.0
  Fe  Fe5  1  -0.00000000  0.62679455  0.08268956  1.0
  Fe  Fe6  1  0.00000000  0.87320545  0.58268956  1.0
  Fe  Fe7  1  0.00000000  0.12679455  0.41731044  1.0
  B  B8  1  0.50000000  0.02195112  0.68866798  1.0
  B  B9  1  0.50000000  0.97804888  0.31133202  1.0
  B  B10  1  0.50000000  0.52195112  0.81133202  1.0
  B  B11  1  0.50000000  0.47804888  0.18866798  1.0
  B  B12  1  0.50000000  0.11135360  0.54582808  1.0
  B  B13  1  0.50000000  0.88864640  0.45417192  1.0
  B  B14  1  0.50000000  0.61135360  0.95417192  1.0
  B  B15  1  0.50000000  0.38864640  0.04582808  1.0
  B  B16  1  0.50000000  0.27793471  0.31785391  1.0
  B  B17  1  0.50000000  0.72206529  0.68214609  1.0
  B  B18  1  0.50000000  0.77793471  0.18214609  1.0
  B  B19  1  0.50000000  0.22206529  0.81785391  1.0
  B  B20  1  0.50000000  0.35885606  0.46672490  1.0
  B  B21  1  0.50000000  0.64114394  0.53327510  1.0
  B  B22  1  0.50000000  0.85885606  0.03327510  1.0
  B  B23  1  0.50000000  0.14114394  0.96672490  1.0