# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87144105
_cell_length_b   4.79244841
_cell_length_c   50.71278407
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm12
_cell_volume   940.908843106
_cell_formula_units_Z   12
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  Sm1  1  0.500001  0.005488  0.323611  1
  Sm  Sm2  1  0.000001  0.505488  0.283568  1
  Sm  Sm3  1  0.500001  0.005488  0.400286  1
  Sm  Sm4  1  0.000001  0.505488  0.362491  1
  Sm  Sm5  1  0.500001  0.005488  0.477040  1
  Sm  Sm6  1  0.000001  0.505488  0.438679  1
  Sm  Sm7  1  0.500001  0.005488  0.553750  1
  Sm  Sm8  1  0.000001  0.505488  0.515389  1
  Sm  Sm9  1  0.500001  0.005488  0.629938  1
  Sm  Sm10  1  0.000001  0.505488  0.592143  1
  Sm  Sm11  1  0.500001  0.005488  0.708861  1
  Sm  Sm12  1  0.000001  0.505488  0.668819  1
