# generated using pymatgen
data_BS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23171800
_cell_length_b   13.94316900
_cell_length_c   17.55307364
_cell_angle_alpha   65.19116956
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BS2
_chemical_formula_sum   'B12 S24'
_cell_volume   940.11255981
_cell_formula_units_Z   12
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  0.97856300  0.76357000  0.90816500  1.0
  B  B1  1  0.47856300  0.23643000  0.59183500  1.0
  B  B2  1  0.02143700  0.23643000  0.09183500  1.0
  B  B3  1  0.52143700  0.76357000  0.40816500  1.0
  B  B4  1  0.97676300  0.83403600  0.72373000  1.0
  B  B5  1  0.47676300  0.16596400  0.77627000  1.0
  B  B6  1  0.02323700  0.16596400  0.27627000  1.0
  B  B7  1  0.52323700  0.83403600  0.22373000  1.0
  B  B8  1  0.74397200  0.62041100  0.83489100  1.0
  B  B9  1  0.24397200  0.37958900  0.66510900  1.0
  B  B10  1  0.25602800  0.37958900  0.16510900  1.0
  B  B11  1  0.75602800  0.62041100  0.33489100  1.0
  S  S12  1  0.80244100  0.71373000  0.72623900  1.0
  S  S13  1  0.30244100  0.28627000  0.77376100  1.0
  S  S14  1  0.19755900  0.28627000  0.27376100  1.0
  S  S15  1  0.69755900  0.71373000  0.22623900  1.0
  S  S16  1  0.81455700  0.63353900  0.93222900  1.0
  S  S17  1  0.31455700  0.36646100  0.56777100  1.0
  S  S18  1  0.18544300  0.36646100  0.06777100  1.0
  S  S19  1  0.68544300  0.63353900  0.43222900  1.0
  S  S20  1  0.08508200  0.87080100  0.80830700  1.0
  S  S21  1  0.58508200  0.12919900  0.69169300  1.0
  S  S22  1  0.91491800  0.12919900  0.19169300  1.0
  S  S23  1  0.41491800  0.87080100  0.30830700  1.0
  S  S24  1  0.04812300  0.79050200  0.99694800  1.0
  S  S25  1  0.54812300  0.20949800  0.50305200  1.0
  S  S26  1  0.95187700  0.20949800  0.00305200  1.0
  S  S27  1  0.45187700  0.79050200  0.49694800  1.0
  S  S28  1  0.04942700  0.93267900  0.62110900  1.0
  S  S29  1  0.54942700  0.06732100  0.87889100  1.0
  S  S30  1  0.95057300  0.06732100  0.37889100  1.0
  S  S31  1  0.45057300  0.93267900  0.12110900  1.0
  S  S32  1  0.59264200  0.49598200  0.84688200  1.0
  S  S33  1  0.09264200  0.50401800  0.65311800  1.0
  S  S34  1  0.40735800  0.50401800  0.15311800  1.0
  S  S35  1  0.90735800  0.49598200  0.34688200  1.0