# generated using pymatgen
data_CsSc2(FeH6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61651305
_cell_length_b   4.61651479
_cell_length_c   9.28298734
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000178
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSc2(FeH6)2
_chemical_formula_sum   'Cs1 Sc2 Fe2 H12'
_cell_volume   171.33523353
_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
  Cs  Cs0  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.38405154  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.61594846  1.0
  Fe  Fe3  1  0.66666700  0.33333300  0.67914939  1.0
  Fe  Fe4  1  0.33333300  0.66666700  0.32085061  1.0
  H  H5  1  0.16943117  0.83056883  0.41158771  1.0
  H  H6  1  0.66113766  0.83056883  0.41158771  1.0
  H  H7  1  0.16943117  0.33886234  0.41158771  1.0
  H  H8  1  0.83056883  0.16943117  0.58841229  1.0
  H  H9  1  0.33886234  0.16943117  0.58841229  1.0
  H  H10  1  0.83056883  0.66113766  0.58841229  1.0
  H  H11  1  0.51039993  0.02079986  0.78133841  1.0
  H  H12  1  0.51039993  0.48960007  0.78133841  1.0
  H  H13  1  0.97920014  0.48960007  0.78133841  1.0
  H  H14  1  0.48960007  0.97920014  0.21866159  1.0
  H  H15  1  0.48960007  0.51039993  0.21866159  1.0
  H  H16  1  0.02079986  0.51039993  0.21866159  1.0