# generated using pymatgen
data_SmNi4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05866440
_cell_length_b   5.05889322
_cell_length_c   7.04153500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99850667
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmNi4B
_chemical_formula_sum   'Sm2 Ni8 B2'
_cell_volume   156.06154091
_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  0.99997900  0.00000000  0.00000000  1.0
  Sm  Sm1  1  0.99998800  0.00000000  0.50000000  1.0
  Ni  Ni2  1  0.33321400  0.66647400  0.00000000  1.0
  Ni  Ni3  1  0.66674100  0.33352600  0.00000000  1.0
  Ni  Ni4  1  0.49998100  0.00000000  0.29390000  1.0
  Ni  Ni5  1  0.49998500  0.50000300  0.29386500  1.0
  Ni  Ni6  1  0.99998200  0.49999700  0.29386500  1.0
  Ni  Ni7  1  0.49998100  0.00000000  0.70610000  1.0
  Ni  Ni8  1  0.49998500  0.50000300  0.70613500  1.0
  Ni  Ni9  1  0.99998200  0.49999700  0.70613500  1.0
  B  B10  1  0.33345000  0.66692100  0.50000000  1.0
  B  B11  1  0.66652900  0.33307900  0.50000000  1.0