# generated using pymatgen
data_SmB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07860057
_cell_length_b   7.18469143
_cell_length_c   7.18469143
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmB4
_chemical_formula_sum   'Sm4 B16'
_cell_volume   210.53650877
_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  0.68290683  0.18290683  1.0
  Sm  Sm1  1  0.00000000  0.81709317  0.68290683  1.0
  Sm  Sm2  1  0.00000000  0.18290683  0.31709317  1.0
  Sm  Sm3  1  0.00000000  0.31709317  0.81709317  1.0
  B  B4  1  0.50000000  0.46139891  0.32542662  1.0
  B  B5  1  0.50000000  0.53860109  0.67457338  1.0
  B  B6  1  0.50000000  0.32542662  0.53860109  1.0
  B  B7  1  0.50000000  0.67457338  0.46139891  1.0
  B  B8  1  0.20405087  -0.00000000  0.00000000  1.0
  B  B9  1  0.79594913  0.50000000  0.50000000  1.0
  B  B10  1  0.79594913  -0.00000000  0.00000000  1.0
  B  B11  1  0.20405087  0.50000000  0.50000000  1.0
  B  B12  1  0.50000000  0.08777872  0.58777872  1.0
  B  B13  1  0.50000000  0.41222128  0.08777872  1.0
  B  B14  1  0.50000000  0.58777872  0.91222128  1.0
  B  B15  1  0.50000000  0.91222128  0.41222128  1.0
  B  B16  1  0.50000000  0.17457338  0.03860109  1.0
  B  B17  1  0.50000000  0.96139891  0.17457338  1.0
  B  B18  1  0.50000000  0.03860109  0.82542662  1.0
  B  B19  1  0.50000000  0.82542662  0.96139891  1.0