# generated using pymatgen
data_LiBeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86683167
_cell_length_b   5.86683167
_cell_length_c   8.32258400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.22448204
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeH3
_chemical_formula_sum   'Li6 Be6 H18'
_cell_volume   247.51939548
_cell_formula_units_Z   6
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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.17185400  0.82814600  0.50000000  1
  Li  Li2  1  0.82814600  0.17185400  0.50000000  1
  Li  Li3  1  0.50000000  0.50000000  0.00000000  1
  Li  Li4  1  0.17185400  0.82814600  0.00000000  1
  Li  Li5  1  0.82814600  0.17185400  0.00000000  1
  Be  Be6  1  0.08039400  0.08039400  0.75000000  1
  Be  Be7  1  0.83446800  0.58972500  0.75000000  1
  Be  Be8  1  0.58972500  0.83446800  0.75000000  1
  Be  Be9  1  0.91960600  0.91960600  0.25000000  1
  Be  Be10  1  0.41027500  0.16553200  0.25000000  1
  Be  Be11  1  0.16553200  0.41027500  0.25000000  1
  H  H12  1  0.19160400  0.19160400  0.59922600  1
  H  H13  1  0.83436000  0.47710900  0.60163000  1
  H  H14  1  0.47710900  0.83436000  0.60163000  1
  H  H15  1  0.59056900  0.59056900  0.75000000  1
  H  H16  1  0.07921800  0.83567300  0.75000000  1
  H  H17  1  0.83567300  0.07921800  0.75000000  1
  H  H18  1  0.83436000  0.47710900  0.89837000  1
  H  H19  1  0.47710900  0.83436000  0.89837000  1
  H  H20  1  0.19160400  0.19160400  0.90077400  1
  H  H21  1  0.80839600  0.80839600  0.09922600  1
  H  H22  1  0.52289100  0.16564000  0.10163000  1
  H  H23  1  0.16564000  0.52289100  0.10163000  1
  H  H24  1  0.40943100  0.40943100  0.25000000  1
  H  H25  1  0.16432700  0.92078200  0.25000000  1
  H  H26  1  0.92078200  0.16432700  0.25000000  1
  H  H27  1  0.52289100  0.16564000  0.39837000  1
  H  H28  1  0.16564000  0.52289100  0.39837000  1
  H  H29  1  0.80839600  0.80839600  0.40077400  1
