# generated using pymatgen
data_B12S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13414710
_cell_length_b   5.13414710
_cell_length_c   5.13414702
_cell_angle_alpha   68.73695781
_cell_angle_beta   68.73695781
_cell_angle_gamma   68.73696586
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B12S
_chemical_formula_sum   'B12 S1'
_cell_volume   113.29615171
_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
  B  B0  1  0.18839600  0.18839600  0.71036700  1.0
  B  B1  1  0.99009500  0.67047100  0.99009500  1.0
  B  B2  1  0.81160400  0.81160400  0.28963300  1.0
  B  B3  1  0.67047100  0.99009500  0.99009500  1.0
  B  B4  1  0.81160400  0.28963300  0.81160400  1.0
  B  B5  1  0.32952900  0.00990500  0.00990500  1.0
  B  B6  1  0.28963300  0.81160400  0.81160400  1.0
  B  B7  1  0.71036700  0.18839600  0.18839600  1.0
  B  B8  1  0.18839600  0.71036700  0.18839600  1.0
  B  B9  1  0.00990500  0.32952900  0.00990500  1.0
  B  B10  1  0.00990500  0.00990500  0.32952900  1.0
  B  B11  1  0.99009500  0.99009500  0.67047100  1.0
  S  S12  1  0.50000000  0.50000000  0.50000000  1.0