# generated using pymatgen
data_SrLi(BS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73321635
_cell_length_b   8.73321635
_cell_length_c   8.07059009
_cell_angle_alpha   66.73283703
_cell_angle_beta   66.73283703
_cell_angle_gamma   60.35373061
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi(BS2)3
_chemical_formula_sum   'Sr2 Li2 B6 S12'
_cell_volume   475.84419850
_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
  Sr  Sr0  1  0.85985400  0.62121500  0.02533800  1
  Sr  Sr1  1  0.62121500  0.85985400  0.52533800  1
  Li  Li2  1  0.50977300  0.29404000  0.06238200  1
  Li  Li3  1  0.29404000  0.50977300  0.56238200  1
  B  B4  1  0.98765400  0.97054900  0.06094600  1
  B  B5  1  0.23953400  0.16131900  0.95671400  1
  B  B6  1  0.16131900  0.23953400  0.45671400  1
  B  B7  1  0.39562500  0.75523600  0.97259700  1
  B  B8  1  0.97054900  0.98765400  0.56094600  1
  B  B9  1  0.75523600  0.39562500  0.47259700  1
  S  S10  1  0.56328600  0.59500000  0.40919600  1
  S  S11  1  0.00739900  0.18335000  0.01195800  1
  S  S12  1  0.36327700  0.26447100  0.42090800  1
  S  S13  1  0.44358700  0.95153600  0.92840100  1
  S  S14  1  0.97789300  0.76607100  0.60460200  1
  S  S15  1  0.95153600  0.44358700  0.42840100  1
  S  S16  1  0.59500000  0.56328600  0.90919600  1
  S  S17  1  0.26447100  0.36327700  0.92090800  1
  S  S18  1  0.17308800  0.74610200  0.06546800  1
  S  S19  1  0.74610200  0.17308800  0.56546800  1
  S  S20  1  0.18335000  0.00739900  0.51195800  1
  S  S21  1  0.76607100  0.97789300  0.10460200  1
