# generated using pymatgen
data_SmB3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17613355
_cell_length_b   5.52656045
_cell_length_c   6.94757618
_cell_angle_alpha   76.76902487
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmB3Mo
_chemical_formula_sum   'Sm2 B6 Mo2'
_cell_volume   118.71429474
_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  0.75000000  0.83058625  0.70679259  1.0
  Sm  Sm1  1  0.25000000  0.16941375  0.29320741  1.0
  B  B2  1  0.25000000  0.57605021  0.47221413  1.0
  B  B3  1  0.75000000  0.42394979  0.52778587  1.0
  B  B4  1  0.25000000  0.58691069  0.99729257  1.0
  B  B5  1  0.75000000  0.41308931  0.00270743  1.0
  B  B6  1  0.25000000  0.91694714  0.99498721  1.0
  B  B7  1  0.75000000  0.08305286  0.00501279  1.0
  Mo  Mo8  1  0.75000000  0.68475394  0.21679626  1.0
  Mo  Mo9  1  0.25000000  0.31524606  0.78320374  1.0