# generated using pymatgen
data_Nd3(FeH6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75601904
_cell_length_b   4.75601774
_cell_length_c   8.19357408
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3(FeH6)2
_chemical_formula_sum   'Nd3 Fe2 H12'
_cell_volume   160.50593200
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.00000000  1.0
  Nd  Nd1  1  0.66666700  0.33333300  0.35793499  1.0
  Nd  Nd2  1  0.33333300  0.66666700  0.64206501  1.0
  Fe  Fe3  1  0.66666700  0.33333300  0.75416208  1.0
  Fe  Fe4  1  0.33333300  0.66666700  0.24583792  1.0
  H  H5  1  0.17751640  0.82248360  0.36197038  1.0
  H  H6  1  0.64496820  0.82248360  0.36197038  1.0
  H  H7  1  0.17751640  0.35503180  0.36197038  1.0
  H  H8  1  0.82248360  0.17751640  0.63802962  1.0
  H  H9  1  0.35503180  0.17751640  0.63802962  1.0
  H  H10  1  0.82248360  0.64496820  0.63802962  1.0
  H  H11  1  0.50999530  0.01999159  0.86923900  1.0
  H  H12  1  0.50999530  0.49000470  0.86923900  1.0
  H  H13  1  0.98000841  0.49000470  0.86923900  1.0
  H  H14  1  0.49000470  0.98000841  0.13076100  1.0
  H  H15  1  0.49000470  0.50999530  0.13076100  1.0
  H  H16  1  0.01999159  0.50999530  0.13076100  1.0