# generated using pymatgen
data_YbSc6BBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.60837853
_cell_length_b   8.60837995
_cell_length_c   8.60837971
_cell_angle_alpha   106.57082457
_cell_angle_beta   106.57082707
_cell_angle_gamma   106.57083509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbSc6BBr12
_chemical_formula_sum   'Yb1 Sc6 B1 Br12'
_cell_volume   537.36177507
_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
  Yb  Yb0  1  0.50000000  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.29384396  0.09353790  0.02234546  1.0
  Sc  Sc2  1  0.09353790  0.02234546  0.29384396  1.0
  Sc  Sc3  1  0.02234546  0.29384396  0.09353790  1.0
  Sc  Sc4  1  0.70615604  0.90646210  0.97765454  1.0
  Sc  Sc5  1  0.90646210  0.97765454  0.70615604  1.0
  Sc  Sc6  1  0.97765454  0.70615604  0.90646210  1.0
  B  B7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.22309804  0.07562244  0.68375375  1.0
  Br  Br9  1  0.07562244  0.68375375  0.22309804  1.0
  Br  Br10  1  0.68375375  0.22309804  0.07562244  1.0
  Br  Br11  1  0.77690196  0.92437756  0.31624625  1.0
  Br  Br12  1  0.92437756  0.31624625  0.77690196  1.0
  Br  Br13  1  0.31624625  0.77690196  0.92437756  1.0
  Br  Br14  1  0.36939334  0.44698899  0.13911311  1.0
  Br  Br15  1  0.44698899  0.13911311  0.36939334  1.0
  Br  Br16  1  0.13911311  0.36939334  0.44698899  1.0
  Br  Br17  1  0.63060666  0.55301101  0.86088689  1.0
  Br  Br18  1  0.55301101  0.86088689  0.63060666  1.0
  Br  Br19  1  0.86088689  0.63060666  0.55301101  1.0