# generated using pymatgen
data_LiBeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01214548
_cell_length_b   6.14208300
_cell_length_c   6.78322028
_cell_angle_alpha   104.00830139
_cell_angle_beta   97.22708647
_cell_angle_gamma   90.37219757
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeH3
_chemical_formula_sum   'Li6 Be6 H18'
_cell_volume   240.92685776
_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  0.01047483  0.75085215  0.00451124  1
  Li  Li1  1  0.98952517  0.24914885  0.99548876  1
  Li  Li2  1  0.74767052  0.07386322  0.29769525  1
  Li  Li3  1  0.25232948  0.92613678  0.70230475  1
  Li  Li4  1  0.76088580  0.56643587  0.31495819  1
  Li  Li5  1  0.23911420  0.43356413  0.68504181  1
  Be  Be6  1  0.22869818  0.04780563  0.32535482  1
  Be  Be7  1  0.77130182  0.95219437  0.67464518  1
  Be  Be8  1  0.22577780  0.61747731  0.31686168  1
  Be  Be9  1  0.77422220  0.38252269  0.68313832  1
  Be  Be10  1  0.43610882  0.28190307  0.12713559  1
  Be  Be11  1  0.56389118  0.71809693  0.87286441  1
  H  H12  1  0.29224086  0.82038235  0.27022612  1
  H  H13  1  0.70775914  0.17961765  0.72977388  1
  H  H14  1  0.42469667  0.50279974  0.26019163  1
  H  H15  1  0.57530333  0.49720026  0.73980837  1
  H  H16  1  0.42350233  0.13606866  0.26412466  1
  H  H17  1  0.57649767  0.86393134  0.73587534  1
  H  H18  1  0.20119290  0.63623376  0.52069956  1
  H  H19  1  0.79880710  0.36376624  0.47930044  1
  H  H20  1  0.22213272  0.13375374  0.53614043  1
  H  H21  1  0.77786728  0.86624626  0.46385957  1
  H  H22  1  0.02646954  0.53683193  0.18476331  1
  H  H23  1  0.97353046  0.46316807  0.81523669  1
  H  H24  1  0.32936262  0.72321137  0.88747965  1
  H  H25  1  0.67063738  0.27678863  0.11252035  1
  H  H26  1  0.29239558  0.22934986  0.93890509  1
  H  H27  1  0.70760442  0.77065014  0.06109491  1
  H  H28  1  0.97137308  0.93729807  0.80445975  1
  H  H29  1  0.02862692  0.06270193  0.19554025  1
