# generated using pymatgen
data_LiBeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39489500
_cell_length_b   4.51740900
_cell_length_c   6.27660700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeH3
_chemical_formula_sum   'Li4 Be4 H12'
_cell_volume   124.61285701
_cell_formula_units_Z   4
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  0.48999300  0.45050100  0.75000000  1
  Li  Li1  1  0.98999300  0.04949900  0.25000000  1
  Li  Li2  1  0.01000700  0.95050100  0.75000000  1
  Li  Li3  1  0.51000700  0.54949900  0.25000000  1
  Be  Be4  1  0.50000000  0.00000000  0.00000000  1
  Be  Be5  1  0.00000000  0.50000000  0.00000000  1
  Be  Be6  1  0.00000000  0.50000000  0.50000000  1
  Be  Be7  1  0.50000000  0.00000000  0.50000000  1
  H  H8  1  0.57234100  0.01658100  0.75000000  1
  H  H9  1  0.07234100  0.48341900  0.25000000  1
  H  H10  1  0.92765900  0.51658100  0.75000000  1
  H  H11  1  0.42765900  0.98341900  0.25000000  1
  H  H12  1  0.29211300  0.70722500  0.53693000  1
  H  H13  1  0.79211300  0.79277500  0.46307000  1
  H  H14  1  0.20788700  0.20722500  0.96307000  1
  H  H15  1  0.70788700  0.29277500  0.03693000  1
  H  H16  1  0.29211300  0.70722500  0.96307000  1
  H  H17  1  0.79211300  0.79277500  0.03693000  1
  H  H18  1  0.20788700  0.20722500  0.53693000  1
  H  H19  1  0.70788700  0.29277500  0.46307000  1
