# generated using pymatgen
data_Sm2Th(BN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45852724
_cell_length_b   6.45852790
_cell_length_c   6.45852675
_cell_angle_alpha   148.70268456
_cell_angle_beta   122.23004400
_cell_angle_gamma   67.18212796
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Th(BN2)2
_chemical_formula_sum   'Sm2 Th1 B2 N4'
_cell_volume   116.96223791
_cell_formula_units_Z   1
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  0.69913369  0.19913369  0.50000000  1.0
  Sm  Sm1  1  0.30086631  0.80086631  0.50000000  1.0
  Th  Th2  1  0.00000000  0.00000000  0.00000000  1.0
  B  B3  1  0.36093151  0.50000000  0.86093151  1.0
  B  B4  1  0.63906849  0.50000000  0.13906849  1.0
  N  N5  1  0.35747434  0.61886570  0.73860864  1.0
  N  N6  1  0.88025506  0.61886570  0.26139136  1.0
  N  N7  1  0.11974494  0.38113430  0.73860864  1.0
  N  N8  1  0.64252566  0.38113430  0.26139136  1.0