# generated using pymatgen
data_ZrScH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85284145
_cell_length_b   5.85284187
_cell_length_c   5.85284200
_cell_angle_alpha   33.58213190
_cell_angle_beta   33.58212481
_cell_angle_gamma   33.58214459
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScH4
_chemical_formula_sum   'Zr1 Sc1 H4'
_cell_volume   54.64095316
_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  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.50000000  0.50000000  0.50000000  1.0
  H  H2  1  0.62526706  0.62526706  0.62526706  1.0
  H  H3  1  0.12465802  0.12465802  0.12465802  1.0
  H  H4  1  0.87534198  0.87534198  0.87534198  1.0
  H  H5  1  0.37473294  0.37473294  0.37473294  1.0