# generated using pymatgen
data_Sm6Br13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.82331496
_cell_length_b   21.82331496
_cell_length_c   7.33248238
_cell_angle_alpha   82.27693887
_cell_angle_beta   82.27693887
_cell_angle_gamma   19.36260633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm6Br13
_chemical_formula_sum   'Sm12 Br26'
_cell_volume   1146.99608223
_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  0.58549700  0.15603200  0.04486000  1.0
  Sm  Sm1  1  0.49565000  0.90402700  0.17572800  1.0
  Sm  Sm2  1  0.69912800  0.22181400  0.58535300  1.0
  Sm  Sm3  1  0.22181400  0.69912800  0.08535300  1.0
  Sm  Sm4  1  0.15603200  0.58549700  0.54486000  1.0
  Sm  Sm5  1  0.77818600  0.30087200  0.91464700  1.0
  Sm  Sm6  1  0.41450300  0.84396800  0.95514000  1.0
  Sm  Sm7  1  0.50435000  0.09597300  0.82427200  1.0
  Sm  Sm8  1  0.09597300  0.50435000  0.32427200  1.0
  Sm  Sm9  1  0.90402700  0.49565000  0.67572800  1.0
  Sm  Sm10  1  0.84396800  0.41450300  0.45514000  1.0
  Sm  Sm11  1  0.30087200  0.77818600  0.41464700  1.0
  Br  Br12  1  0.46291200  0.37467000  0.31940500  1.0
  Br  Br13  1  0.29063300  0.22430800  0.11923600  1.0
  Br  Br14  1  0.77569200  0.70936700  0.38076400  1.0
  Br  Br15  1  0.55171400  0.44828600  0.25000000  1.0
  Br  Br16  1  0.17781100  0.02533600  0.28972500  1.0
  Br  Br17  1  0.13531800  0.22887000  0.40188200  1.0
  Br  Br18  1  0.90184400  0.15991500  0.54442700  1.0
  Br  Br19  1  0.02533600  0.17781100  0.78972500  1.0
  Br  Br20  1  0.77317900  0.55101400  0.07076900  1.0
  Br  Br21  1  0.86468200  0.77113000  0.59811800  1.0
  Br  Br22  1  0.44828600  0.55171400  0.75000000  1.0
  Br  Br23  1  0.44898600  0.22682100  0.42923100  1.0
  Br  Br24  1  0.84008500  0.09815600  0.95557300  1.0
  Br  Br25  1  0.53708800  0.62533000  0.68059500  1.0
  Br  Br26  1  0.22682100  0.44898600  0.92923100  1.0
  Br  Br27  1  0.62533000  0.53708800  0.18059500  1.0
  Br  Br28  1  0.22887000  0.13531800  0.90188200  1.0
  Br  Br29  1  0.70936700  0.77569200  0.88076400  1.0
  Br  Br30  1  0.97466400  0.82218900  0.21027500  1.0
  Br  Br31  1  0.55101400  0.77317900  0.57076900  1.0
  Br  Br32  1  0.09815600  0.84008500  0.45557300  1.0
  Br  Br33  1  0.77113000  0.86468200  0.09811800  1.0
  Br  Br34  1  0.15991500  0.90184400  0.04442700  1.0
  Br  Br35  1  0.82218900  0.97466400  0.71027500  1.0
  Br  Br36  1  0.22430800  0.29063300  0.61923600  1.0
  Br  Br37  1  0.37467000  0.46291200  0.81940500  1.0