# generated using pymatgen
data_Sm6GeBBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.19204128
_cell_length_b   10.19204224
_cell_length_c   10.04385866
_cell_angle_alpha   109.46829530
_cell_angle_beta   109.46830088
_cell_angle_gamma   110.06713324
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm6GeBBr6
_chemical_formula_sum   'Sm12 Ge2 B2 Br12'
_cell_volume   797.23402943
_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  0.46811390  0.49420254  0.22382081  1.0
  Sm  Sm1  1  0.77038273  0.24429209  0.27617919  1.0
  Sm  Sm2  1  0.76939195  0.02700934  0.49889029  1.0
  Sm  Sm3  1  0.22949834  0.47188195  0.49889029  1.0
  Sm  Sm4  1  0.25570791  0.72961727  0.22382081  1.0
  Sm  Sm5  1  0.02811805  0.27050166  0.00110971  1.0
  Sm  Sm6  1  0.00579746  0.03188610  0.27617919  1.0
  Sm  Sm7  1  0.47299066  0.73060805  0.00110971  1.0
  Sm  Sm8  1  0.49213139  0.24213139  0.48426377  1.0
  Sm  Sm9  1  0.02042914  0.47957086  0.75000000  1.0
  Sm  Sm10  1  0.25786861  0.00786861  0.01573623  1.0
  Sm  Sm11  1  0.22957086  0.27042914  0.75000000  1.0
  Ge  Ge12  1  0.24936538  0.25063462  0.25000000  1.0
  Ge  Ge13  1  0.50063462  0.99936538  0.25000000  1.0
  B  B14  1  0.99908674  0.24908674  0.49817247  1.0
  B  B15  1  0.25091326  0.50091326  0.00182753  1.0
  Br  Br16  1  0.24791896  0.75617991  0.74054649  1.0
  Br  Br17  1  0.51563442  0.50737246  0.75945351  1.0
  Br  Br18  1  0.98926170  0.74272750  0.99352790  1.0
  Br  Br19  1  0.74382009  0.25208104  0.75945351  1.0
  Br  Br20  1  0.99262754  0.98436558  0.74054649  1.0
  Br  Br21  1  0.24919961  0.99573380  0.50647210  1.0
  Br  Br22  1  0.75727250  0.51073830  0.50647210  1.0
  Br  Br23  1  0.50426620  0.25080039  0.99352790  1.0
  Br  Br24  1  0.75579864  0.74420136  0.25000000  1.0
  Br  Br25  1  0.74516312  0.99516312  0.99032825  1.0
  Br  Br26  1  0.99420136  0.50579864  0.25000000  1.0
  Br  Br27  1  0.50483688  0.75483688  0.50967175  1.0