# generated using pymatgen
data_Sm(NiB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02199128
_cell_length_b   5.02199128
_cell_length_c   6.79836377
_cell_angle_alpha   59.50689330
_cell_angle_beta   59.50689330
_cell_angle_gamma   65.11829386
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm(NiB)2
_chemical_formula_sum   'Sm2 Ni4 B4'
_cell_volume   124.19348842
_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  0.12172011  0.87827989  0.75000000  1.0
  Sm  Sm1  1  0.87827989  0.12172011  0.25000000  1.0
  Ni  Ni2  1  0.47163733  0.28233982  0.69920053  1.0
  Ni  Ni3  1  0.71766018  0.52836267  0.80079947  1.0
  Ni  Ni4  1  0.52836267  0.71766018  0.30079947  1.0
  Ni  Ni5  1  0.28233982  0.47163733  0.19920053  1.0
  B  B6  1  0.15342095  0.50155752  0.52764688  1.0
  B  B7  1  0.49844248  0.84657905  0.97235312  1.0
  B  B8  1  0.84657905  0.49844248  0.47235312  1.0
  B  B9  1  0.50155752  0.15342095  0.02764688  1.0