# generated using pymatgen
data_Li4CaB10(HO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39744700
_cell_length_b   8.87785800
_cell_length_c   9.54618300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4CaB10(HO5)4
_chemical_formula_sum   'Li8 Ca2 B20 H8 O40'
_cell_volume   711.68075390
_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  0.17705100  0.44236800  0.78947800  1
  Li  Li1  1  0.82294900  0.55763200  0.78947800  1
  Li  Li2  1  0.82294900  0.94236800  0.28947800  1
  Li  Li3  1  0.17705100  0.05763200  0.28947800  1
  Li  Li4  1  0.32402400  0.95167300  0.98796400  1
  Li  Li5  1  0.67597600  0.04832700  0.98796400  1
  Li  Li6  1  0.67597600  0.45167300  0.48796400  1
  Li  Li7  1  0.32402400  0.54832700  0.48796400  1
  Ca  Ca8  1  0.00000000  0.50000000  0.16665300  1
  Ca  Ca9  1  0.00000000  0.00000000  0.66665300  1
  B  B10  1  0.43058700  0.26095100  0.88913700  1
  B  B11  1  0.56941300  0.73904900  0.88913700  1
  B  B12  1  0.56941300  0.76095100  0.38913700  1
  B  B13  1  0.43058700  0.23904900  0.38913700  1
  B  B14  1  0.07143600  0.74888400  0.89979400  1
  B  B15  1  0.92856400  0.25111600  0.89979400  1
  B  B16  1  0.92856400  0.24888400  0.39979400  1
  B  B17  1  0.07143600  0.75111600  0.39979400  1
  B  B18  1  0.50000000  0.50000000  0.76404100  1
  B  B19  1  0.50000000  0.00000000  0.26404100  1
  B  B20  1  0.31713000  0.72334400  0.74849900  1
  B  B21  1  0.68287000  0.27665600  0.74849900  1
  B  B22  1  0.68287000  0.22334400  0.24849900  1
  B  B23  1  0.31713000  0.77665600  0.24849900  1
  B  B24  1  0.18046300  0.27516900  0.54132600  1
  B  B25  1  0.81953700  0.72483100  0.54132600  1
  B  B26  1  0.81953700  0.77516900  0.04132600  1
  B  B27  1  0.18046300  0.22483100  0.04132600  1
  B  B28  1  0.00000000  0.50000000  0.51056400  1
  B  B29  1  0.00000000  0.00000000  0.01056400  1
  H  H30  1  0.31766100  0.12500200  0.65626100  1
  H  H31  1  0.68233900  0.87499800  0.65626100  1
  H  H32  1  0.68233900  0.62500200  0.15626100  1
  H  H33  1  0.31766100  0.37499800  0.15626100  1
  H  H34  1  0.32307900  0.86128100  0.57387500  1
  H  H35  1  0.67692100  0.13871900  0.57387500  1
  H  H36  1  0.67692100  0.36128100  0.07387500  1
  H  H37  1  0.32307900  0.63871900  0.07387500  1
  O  O38  1  0.10212700  0.40778300  0.59625000  1
  O  O39  1  0.89787300  0.59221700  0.59625000  1
  O  O40  1  0.89787300  0.90778300  0.09625000  1
  O  O41  1  0.10212700  0.09221700  0.09625000  1
  O  O42  1  0.39466100  0.40778700  0.85867400  1
  O  O43  1  0.60533900  0.59221300  0.85867400  1
  O  O44  1  0.60533900  0.90778700  0.35867400  1
  O  O45  1  0.39466100  0.09221300  0.35867400  1
  O  O46  1  0.17740900  0.66160600  0.82831900  1
  O  O47  1  0.82259100  0.33839400  0.82831900  1
  O  O48  1  0.82259100  0.16160600  0.32831900  1
  O  O49  1  0.17740900  0.83839400  0.32831900  1
  O  O50  1  0.32480800  0.17606000  0.96607300  1
  O  O51  1  0.67519200  0.82394000  0.96607300  1
  O  O52  1  0.67519200  0.67606000  0.46607300  1
  O  O53  1  0.32480800  0.32394000  0.46607300  1
  O  O54  1  0.39901300  0.59936600  0.67934000  1
  O  O55  1  0.60098700  0.40063400  0.67934000  1
  O  O56  1  0.60098700  0.09936600  0.17934000  1
  O  O57  1  0.39901300  0.90063400  0.17934000  1
  O  O58  1  0.06586700  0.31817400  0.95174500  1
  O  O59  1  0.93413300  0.68182600  0.95174500  1
  O  O60  1  0.93413300  0.81817400  0.45174500  1
  O  O61  1  0.06586700  0.18182600  0.45174500  1
  O  O62  1  0.42772400  0.80526100  0.84784500  1
  O  O63  1  0.57227600  0.19473900  0.84784500  1
  O  O64  1  0.57227600  0.30526100  0.34784500  1
  O  O65  1  0.42772400  0.69473900  0.34784500  1
  O  O66  1  0.21527000  0.17506300  0.66243600  1
  O  O67  1  0.78473000  0.82493700  0.66243600  1
  O  O68  1  0.78473000  0.67506300  0.16243600  1
  O  O69  1  0.21527000  0.32493700  0.16243600  1
  O  O70  1  0.24766500  0.83297100  0.64646200  1
  O  O71  1  0.75233500  0.16702900  0.64646200  1
  O  O72  1  0.75233500  0.33297100  0.14646200  1
  O  O73  1  0.24766500  0.66702900  0.14646200  1
  O  O74  1  0.09702100  0.90266200  0.91099200  1
  O  O75  1  0.90297900  0.09733800  0.91099200  1
  O  O76  1  0.90297900  0.40266200  0.41099200  1
  O  O77  1  0.09702100  0.59733800  0.41099200  1
