# generated using pymatgen
data_ZrSc5H18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83057836
_cell_length_b   5.82867524
_cell_length_c   6.09231292
_cell_angle_alpha   90.06926177
_cell_angle_beta   90.00009046
_cell_angle_gamma   120.01105838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc5H18
_chemical_formula_sum   'Zr1 Sc5 H18'
_cell_volume   179.28563748
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.33540387  0.99999979  0.25000062  1.0
  Sc  Sc1  1  0.66613068  0.00000290  0.75000045  1.0
  Sc  Sc2  1  0.33509967  0.33620769  0.74910628  1.0
  Sc  Sc3  1  0.99889377  0.66379799  0.75089396  1.0
  Sc  Sc4  1  0.66434514  0.66411133  0.25000412  1.0
  Sc  Sc5  1  0.00023127  0.33588541  0.24999610  1.0
  H  H6  1  0.32336708  0.97650148  0.91127896  1.0
  H  H7  1  0.65377555  0.67622784  0.91197988  1.0
  H  H8  1  0.02204229  0.34508600  0.91179932  1.0
  H  H9  1  0.32337171  0.33821801  0.40590385  1.0
  H  H10  1  0.03125471  0.68254011  0.40907725  1.0
  H  H11  1  0.64287948  0.97418863  0.40720971  1.0
  H  H12  1  0.66869047  0.02581239  0.09278867  1.0
  H  H13  1  0.34871453  0.31745632  0.09092232  1.0
  H  H14  1  0.98515544  0.66178184  0.09409564  1.0
  H  H15  1  0.67695685  0.65491217  0.58820053  1.0
  H  H16  1  0.97754820  0.32377519  0.58801967  1.0
  H  H17  1  0.34686463  0.02349822  0.58872106  1.0
  H  H18  1  0.00070225  0.99999923  0.74999857  1.0
  H  H19  1  0.99824276  0.00000052  0.25000197  1.0
  H  H20  1  0.66620585  0.33299678  0.79175979  1.0
  H  H21  1  0.66719187  0.33347260  0.30141399  1.0
  H  H22  1  0.33372012  0.66652591  0.19858853  1.0
  H  H23  1  0.33321382  0.66700666  0.70824172  1.0