# generated using pymatgen
data_Sm12B3PBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.00620731
_cell_length_b   10.00620885
_cell_length_c   10.00620749
_cell_angle_alpha   109.72483416
_cell_angle_beta   109.72483293
_cell_angle_gamma   109.72482819
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm12B3PBr12
_chemical_formula_sum   'Sm12 B3 P1 Br12'
_cell_volume   763.90744231
_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  0.47031334  0.49385776  0.22832785  1.0
  Sm  Sm1  1  0.75000000  0.23056329  0.26943671  1.0
  Sm  Sm2  1  0.75000000  0.01792609  0.48207391  1.0
  Sm  Sm3  1  0.22832785  0.47031334  0.49385776  1.0
  Sm  Sm4  1  0.26943671  0.75000000  0.23056329  1.0
  Sm  Sm5  1  0.02968666  0.27167215  0.00614224  1.0
  Sm  Sm6  1  0.00614224  0.02968666  0.27167215  1.0
  Sm  Sm7  1  0.48207391  0.75000000  0.01792609  1.0
  Sm  Sm8  1  0.49385776  0.22832785  0.47031334  1.0
  Sm  Sm9  1  0.01792609  0.48207391  0.75000000  1.0
  Sm  Sm10  1  0.27167215  0.00614224  0.02968666  1.0
  Sm  Sm11  1  0.23056329  0.26943671  0.75000000  1.0
  B  B12  1  0.49911838  0.00088162  0.25000000  1.0
  B  B13  1  0.00088162  0.25000000  0.49911838  1.0
  B  B14  1  0.25000000  0.49911838  0.00088162  1.0
  P  P15  1  0.25000000  0.25000000  0.25000000  1.0
  Br  Br16  1  0.25000000  0.75912235  0.74087765  1.0
  Br  Br17  1  0.51528267  0.50760597  0.75768218  1.0
  Br  Br18  1  0.98471733  0.74231782  0.99239403  1.0
  Br  Br19  1  0.74087765  0.25000000  0.75912235  1.0
  Br  Br20  1  0.99239403  0.98471733  0.74231782  1.0
  Br  Br21  1  0.25000000  0.99319297  0.50680703  1.0
  Br  Br22  1  0.75768218  0.51528267  0.50760597  1.0
  Br  Br23  1  0.50680703  0.25000000  0.99319297  1.0
  Br  Br24  1  0.75912235  0.74087765  0.25000000  1.0
  Br  Br25  1  0.74231782  0.99239403  0.98471733  1.0
  Br  Br26  1  0.99319297  0.50680703  0.25000000  1.0
  Br  Br27  1  0.50760597  0.75768218  0.51528267  1.0