# generated using pymatgen
data_Li2B2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31914736
_cell_length_b   5.97589371
_cell_length_c   12.06091593
_cell_angle_alpha   79.65886695
_cell_angle_beta   77.26090032
_cell_angle_gamma   63.57342478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2B2Se5
_chemical_formula_sum   'Li4 B4 Se10'
_cell_volume   333.40833798
_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
  Li  Li0  1  0.85540446  0.31789775  0.93261804  1
  Li  Li1  1  0.10592025  0.18210225  0.56738196  1
  Li  Li2  1  0.14459554  0.68210225  0.06738196  1
  Li  Li3  1  0.89407975  0.81789775  0.43261804  1
  B  B4  1  0.30656031  0.57404323  0.70754062  1
  B  B5  1  0.58814316  0.92595677  0.79245938  1
  B  B6  1  0.69343969  0.42595677  0.29245938  1
  B  B7  1  0.41185684  0.07404323  0.20754062  1
  Se  Se8  1  0.75548957  0.75000000  0.25000000  1
  Se  Se9  1  0.24451043  0.25000000  0.75000000  1
  Se  Se10  1  0.43552747  0.65033133  0.83928625  1
  Se  Se11  1  0.92514404  0.84966867  0.66071375  1
  Se  Se12  1  0.56447253  0.34966867  0.16071375  1
  Se  Se13  1  0.07485596  0.15033133  0.33928625  1
  Se  Se14  1  0.59745314  0.56942981  0.56081715  1
  Se  Se15  1  0.72770010  0.93057019  0.93918285  1
  Se  Se16  1  0.40254686  0.43057019  0.43918285  1
  Se  Se17  1  0.27229990  0.06942981  0.06081715  1
