# generated using pymatgen
data_CsNd2(FeH6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03518652
_cell_length_b   5.03518703
_cell_length_c   9.47037100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999017
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsNd2(FeH6)2
_chemical_formula_sum   'Cs1 Nd2 Fe2 H12'
_cell_volume   207.93559428
_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
  Nd  Nd1  1  0.66666700  0.33333300  0.37157158  1.0
  Nd  Nd2  1  0.33333300  0.66666700  0.62842842  1.0
  Fe  Fe3  1  0.66666700  0.33333300  0.69366839  1.0
  Fe  Fe4  1  0.33333300  0.66666700  0.30633161  1.0
  H  H5  1  0.18165265  0.81834735  0.40007671  1.0
  H  H6  1  0.63669469  0.81834735  0.40007671  1.0
  H  H7  1  0.18165265  0.36330531  0.40007671  1.0
  H  H8  1  0.81834735  0.18165265  0.59992329  1.0
  H  H9  1  0.36330531  0.18165265  0.59992329  1.0
  H  H10  1  0.81834735  0.63669469  0.59992329  1.0
  H  H11  1  0.52691938  0.05383776  0.79859562  1.0
  H  H12  1  0.52691938  0.47308062  0.79859562  1.0
  H  H13  1  0.94616224  0.47308062  0.79859562  1.0
  H  H14  1  0.47308062  0.94616224  0.20140438  1.0
  H  H15  1  0.47308062  0.52691938  0.20140438  1.0
  H  H16  1  0.05383776  0.52691938  0.20140438  1.0