# generated using pymatgen
data_SmFe2Ni2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04517857
_cell_length_b   5.04517857
_cell_length_c   7.04993300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.67247866
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmFe2Ni2B
_chemical_formula_sum   'Sm2 Fe4 Ni4 B2'
_cell_volume   155.91667962
_cell_formula_units_Z   2
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  0.00000000  0.00241000  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.49419500  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.28656600  1.0
  Fe  Fe3  1  0.00000000  0.50000000  0.71526800  1.0
  Fe  Fe4  1  0.50000000  0.00000000  0.71526800  1.0
  Fe  Fe5  1  0.50000000  0.50000000  0.71230400  1.0
  Ni  Ni6  1  0.33637900  0.66362100  0.99888900  1.0
  Ni  Ni7  1  0.66362100  0.33637900  0.99888900  1.0
  Ni  Ni8  1  0.00000000  0.50000000  0.29049100  1.0
  Ni  Ni9  1  0.50000000  0.00000000  0.29049100  1.0
  B  B10  1  0.33453100  0.66546900  0.49763800  1.0
  B  B11  1  0.66546900  0.33453100  0.49763800  1.0