# generated using pymatgen
data_Sm3BCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65347868
_cell_length_b   9.65347864
_cell_length_c   9.65347864
_cell_angle_alpha   109.47121857
_cell_angle_beta   109.47121849
_cell_angle_gamma   109.47122286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3BCl3
_chemical_formula_sum   'Sm12 B4 Cl12'
_cell_volume   692.51572824
_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  0.47284768  0.48642334  0.23642334  1.0
  Sm  Sm1  1  0.75000000  0.23642334  0.26357666  1.0
  Sm  Sm2  1  0.75000000  0.01357666  0.48642334  1.0
  Sm  Sm3  1  0.23642334  0.47284768  0.48642334  1.0
  Sm  Sm4  1  0.26357666  0.75000000  0.23642334  1.0
  Sm  Sm5  1  0.02715232  0.26357666  0.01357666  1.0
  Sm  Sm6  1  0.01357666  0.02715232  0.26357666  1.0
  Sm  Sm7  1  0.48642334  0.75000000  0.01357666  1.0
  Sm  Sm8  1  0.48642334  0.23642334  0.47284768  1.0
  Sm  Sm9  1  0.01357666  0.48642334  0.75000000  1.0
  Sm  Sm10  1  0.26357666  0.01357666  0.02715232  1.0
  Sm  Sm11  1  0.23642334  0.26357666  0.75000000  1.0
  B  B12  1  0.25000000  0.25000000  0.25000000  1.0
  B  B13  1  0.50000000  0.00000000  0.25000000  1.0
  B  B14  1  0.00000000  0.25000000  0.50000000  1.0
  B  B15  1  0.25000000  0.50000000  0.00000000  1.0
  Cl  Cl16  1  0.25000000  0.75560380  0.74439620  1.0
  Cl  Cl17  1  0.51120759  0.50560380  0.75560380  1.0
  Cl  Cl18  1  0.98879241  0.74439620  0.99439620  1.0
  Cl  Cl19  1  0.74439620  0.25000000  0.75560380  1.0
  Cl  Cl20  1  0.99439620  0.98879241  0.74439620  1.0
  Cl  Cl21  1  0.25000000  0.99439620  0.50560380  1.0
  Cl  Cl22  1  0.75560380  0.51120759  0.50560380  1.0
  Cl  Cl23  1  0.50560380  0.25000000  0.99439620  1.0
  Cl  Cl24  1  0.75560380  0.74439620  0.25000000  1.0
  Cl  Cl25  1  0.74439620  0.99439620  0.98879241  1.0
  Cl  Cl26  1  0.99439620  0.50560380  0.25000000  1.0
  Cl  Cl27  1  0.50560380  0.75560380  0.51120759  1.0