# generated using pymatgen
data_Ac3B(CBr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.00693893
_cell_length_b   4.14004524
_cell_length_c   11.92306246
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac3B(CBr)2
_chemical_formula_sum   'Ac12 B4 C8 Br8'
_cell_volume   790.13480680
_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
  Ac  Ac0  1  0.33318883  0.25000100  0.69645573  1.0
  Ac  Ac1  1  0.16681117  0.75000000  0.19645573  1.0
  Ac  Ac2  1  0.83318983  0.25000100  0.80354327  1.0
  Ac  Ac3  1  0.66681017  0.75000000  0.30354427  1.0
  Ac  Ac4  1  0.13958448  0.25000100  0.87801282  1.0
  Ac  Ac5  1  0.36041552  0.75000000  0.37801382  1.0
  Ac  Ac6  1  0.63958448  0.25000100  0.62198718  1.0
  Ac  Ac7  1  0.86041552  0.75000000  0.12198718  1.0
  Ac  Ac8  1  0.34145947  0.25000100  0.05626882  1.0
  Ac  Ac9  1  0.15854053  0.75000000  0.55626882  1.0
  Ac  Ac10  1  0.84146047  0.25000100  0.44373118  1.0
  Ac  Ac11  1  0.65853953  0.75000000  0.94373118  1.0
  B  B12  1  0.25499247  0.75000000  0.87542048  1.0
  B  B13  1  0.24500753  0.25000100  0.37542148  1.0
  B  B14  1  0.75499247  0.75000000  0.62457852  1.0
  B  B15  1  0.74500753  0.25000100  0.12457952  1.0
  C  C16  1  0.27204039  0.25000100  0.25599279  1.0
  C  C17  1  0.22795961  0.75000000  0.75599279  1.0
  C  C18  1  0.77204039  0.25000100  0.24400721  1.0
  C  C19  1  0.72795961  0.75000000  0.74400621  1.0
  C  C20  1  0.26561296  0.25000100  0.49683901  1.0
  C  C21  1  0.23438704  0.75000000  0.99684001  1.0
  C  C22  1  0.76561296  0.25000100  0.00315999  1.0
  C  C23  1  0.73438704  0.75000000  0.50316099  1.0
  Br  Br24  1  0.00696337  0.25000100  0.63341611  1.0
  Br  Br25  1  0.49303663  0.75000000  0.13341511  1.0
  Br  Br26  1  0.50696337  0.25000100  0.86658489  1.0
  Br  Br27  1  0.99303663  0.75000000  0.36658489  1.0
  Br  Br28  1  0.02200732  0.25000100  0.11654837  1.0
  Br  Br29  1  0.47799368  0.75000000  0.61654937  1.0
  Br  Br30  1  0.52200732  0.25000100  0.38345163  1.0
  Br  Br31  1  0.97799268  0.75000000  0.88345063  1.0