# generated using pymatgen
data_Zr2FeH5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85644789
_cell_length_b   6.85644789
_cell_length_c   5.65271636
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2FeH5
_chemical_formula_sum   'Zr8 Fe4 H20'
_cell_volume   265.73915729
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.16108905  0.83891095  0.25000000  1.0
  Zr  Zr1  1  0.16108905  0.16108905  0.75000000  1.0
  Zr  Zr2  1  0.83891095  0.83891095  0.75000000  1.0
  Zr  Zr3  1  0.83891095  0.16108905  0.25000000  1.0
  Zr  Zr4  1  0.33891095  0.66108905  0.75000000  1.0
  Zr  Zr5  1  0.33891095  0.33891095  0.25000000  1.0
  Zr  Zr6  1  0.66108905  0.66108905  0.25000000  1.0
  Zr  Zr7  1  0.66108905  0.33891095  0.75000000  1.0
  Fe  Fe8  1  -0.00000000  0.50000000  0.48581701  1.0
  Fe  Fe9  1  -0.00000000  0.50000000  0.98581701  1.0
  Fe  Fe10  1  0.50000000  -0.00000000  0.51418299  1.0
  Fe  Fe11  1  0.50000000  -0.00000000  0.01418299  1.0
  H  H12  1  0.50000000  0.50000000  0.50000000  1.0
  H  H13  1  0.50000000  0.50000000  -0.00000000  1.0
  H  H14  1  -0.00000000  -0.00000000  -0.00000000  1.0
  H  H15  1  -0.00000000  -0.00000000  0.50000000  1.0
  H  H16  1  0.78793904  0.41624163  0.43066292  1.0
  H  H17  1  0.78793904  0.58375837  0.93066292  1.0
  H  H18  1  0.21206096  0.41624163  0.93066292  1.0
  H  H19  1  0.21206096  0.58375837  0.43066292  1.0
  H  H20  1  0.91624163  0.28793904  0.93066292  1.0
  H  H21  1  0.91624163  0.71206096  0.43066292  1.0
  H  H22  1  0.08375837  0.28793904  0.43066292  1.0
  H  H23  1  0.08375837  0.71206096  0.93066292  1.0
  H  H24  1  0.71206096  0.08375837  0.56933708  1.0
  H  H25  1  0.71206096  0.91624163  0.06933708  1.0
  H  H26  1  0.28793904  0.08375837  0.06933708  1.0
  H  H27  1  0.28793904  0.91624163  0.56933708  1.0
  H  H28  1  0.58375837  0.21206096  0.06933708  1.0
  H  H29  1  0.58375837  0.78793904  0.56933708  1.0
  H  H30  1  0.41624163  0.21206096  0.56933708  1.0
  H  H31  1  0.41624163  0.78793904  0.06933708  1.0