# generated using pymatgen
data_LiSc(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11661751
_cell_length_b   6.11661751
_cell_length_c   11.64305700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.20228184
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc(BH4)4
_chemical_formula_sum   'Li2 Sc2 B8 H32'
_cell_volume   435.28006374
_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  0.00000000  0.00000000  0.44212100  1
  Li  Li1  1  0.00000000  0.00000000  0.94212100  1
  Sc  Sc2  1  0.50000000  0.50000000  0.23453500  1
  Sc  Sc3  1  0.50000000  0.50000000  0.73453500  1
  B  B4  1  0.74804400  0.72113700  0.86189700  1
  B  B5  1  0.25195600  0.27886300  0.86189700  1
  B  B6  1  0.27307000  0.71830500  0.63381800  1
  B  B7  1  0.72693000  0.28169500  0.63381800  1
  B  B8  1  0.28169500  0.72693000  0.13381800  1
  B  B9  1  0.71830500  0.27307000  0.13381800  1
  B  B10  1  0.27886300  0.25195600  0.36189700  1
  B  B11  1  0.72113700  0.74804400  0.36189700  1
  H  H12  1  0.75967800  0.72498500  0.75549000  1
  H  H13  1  0.24032200  0.27501500  0.75549000  1
  H  H14  1  0.22166400  0.71052500  0.73693000  1
  H  H15  1  0.77833600  0.28947500  0.73693000  1
  H  H16  1  0.28947500  0.77833600  0.23693000  1
  H  H17  1  0.71052500  0.22166400  0.23693000  1
  H  H18  1  0.27501500  0.24032200  0.25549000  1
  H  H19  1  0.72498500  0.75967800  0.25549000  1
  H  H20  1  0.64454600  0.87330800  0.89646600  1
  H  H21  1  0.35545400  0.12669200  0.89646600  1
  H  H22  1  0.47012100  0.77825500  0.63155600  1
  H  H23  1  0.52987900  0.22174500  0.63155600  1
  H  H24  1  0.22174500  0.52987900  0.13155600  1
  H  H25  1  0.77825500  0.47012100  0.13155600  1
  H  H26  1  0.12669200  0.35545400  0.39646600  1
  H  H27  1  0.87330800  0.64454600  0.39646600  1
  H  H28  1  0.93472300  0.71087100  0.89733900  1
  H  H29  1  0.06527700  0.28912900  0.89733900  1
  H  H30  1  0.16284700  0.83765500  0.57853100  1
  H  H31  1  0.83715300  0.16234500  0.57853100  1
  H  H32  1  0.16234500  0.83715300  0.07853100  1
  H  H33  1  0.83765500  0.16284700  0.07853100  1
  H  H34  1  0.28912900  0.06527700  0.39733900  1
  H  H35  1  0.71087100  0.93472300  0.39733900  1
  H  H36  1  0.65715500  0.54826700  0.89443000  1
  H  H37  1  0.34284500  0.45173300  0.89443000  1
  H  H38  1  0.26406200  0.52656600  0.59841800  1
  H  H39  1  0.73593800  0.47343400  0.59841800  1
  H  H40  1  0.47343400  0.73593800  0.09841800  1
  H  H41  1  0.52656600  0.26406200  0.09841800  1
  H  H42  1  0.45173300  0.34284500  0.39443000  1
  H  H43  1  0.54826700  0.65715500  0.39443000  1
