# generated using pymatgen
data_Li3BH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61286865
_cell_length_b   6.36108359
_cell_length_c   5.06883214
_cell_angle_alpha   86.48296025
_cell_angle_beta   86.17780707
_cell_angle_gamma   99.64421684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3BH6
_chemical_formula_sum   'Li6 B2 H12'
_cell_volume   177.53825675
_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  0.00529300  0.27241700  0.62396500  1
  Li  Li1  1  0.41132300  0.66290700  0.58717300  1
  Li  Li2  1  0.28486400  0.44601200  0.08464800  1
  Li  Li3  1  0.78513500  0.50055000  0.95367500  1
  Li  Li4  1  0.51357600  0.10173800  0.29440000  1
  Li  Li5  1  0.96697200  0.75022200  0.51264200  1
  B  B6  1  0.66951200  0.45158900  0.43488700  1
  B  B7  1  0.88372700  0.02787400  0.04352300  1
  H  H8  1  0.28648900  0.89454900  0.47882600  1
  H  H9  1  0.68669000  0.26830000  0.52565700  1
  H  H10  1  0.04206600  0.12418300  0.17045300  1
  H  H11  1  0.87792500  0.51100300  0.30800400  1
  H  H12  1  0.76784900  0.15355100  0.93877500  1
  H  H13  1  0.42540500  0.24765800  0.81657400  1
  H  H14  1  0.30765600  0.79721700  0.95978100  1
  H  H15  1  0.32851600  0.15592600  0.88382100  1
  H  H16  1  0.97600800  0.93130800  0.87091200  1
  H  H17  1  0.74394400  0.89708800  0.19411400  1
  H  H18  1  0.42430100  0.78887500  0.02497700  1
  H  H19  1  0.11274600  0.51703100  0.79319100  1
