# generated using pymatgen
data_ScHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65588525
_cell_length_b   6.65588525
_cell_length_c   4.03634474
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   28.32596257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScHO2
_chemical_formula_sum   'Sc2 H2 O4'
_cell_volume   84.84462684
_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
  Sc  Sc0  1  0.67564300  0.67564300  0.25027753  1.0
  Sc  Sc1  1  0.32435700  0.32435700  0.75027753  1.0
  H  H2  1  0.01607811  0.01607811  0.43303109  1.0
  H  H3  1  0.98392189  0.98392189  0.93303109  1.0
  O  O4  1  0.28510132  0.28510132  0.25087902  1.0
  O  O5  1  0.71489868  0.71489868  0.75087902  1.0
  O  O6  1  0.06926669  0.06926669  0.25521135  1.0
  O  O7  1  0.93073331  0.93073331  0.75521135  1.0