# generated using pymatgen
data_Sc2FeH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.60487696
_cell_length_b   4.60487611
_cell_length_c   4.60487621
_cell_angle_alpha   59.99999224
_cell_angle_beta   59.99999833
_cell_angle_gamma   60.00000095
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2FeH6
_chemical_formula_sum   'Sc2 Fe1 H6'
_cell_volume   69.04606230
_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
  Sc  Sc0  1  0.75000000  0.75000000  0.75000000  1.0
  Sc  Sc1  1  0.25000000  0.25000000  0.25000000  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1.0
  H  H3  1  0.75095260  0.75095260  0.24904740  1.0
  H  H4  1  0.24904740  0.75095260  0.24904740  1.0
  H  H5  1  0.75095260  0.24904740  0.24904740  1.0
  H  H6  1  0.24904740  0.24904740  0.75095260  1.0
  H  H7  1  0.75095260  0.24904740  0.75095260  1.0
  H  H8  1  0.24904740  0.75095260  0.75095260  1.0