# generated using pymatgen
data_Zr4Fe2H2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97013035
_cell_length_b   8.97013035
_cell_length_c   8.97013035
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Fe2H2O
_chemical_formula_sum   'Zr16 Fe8 H8 O4'
_cell_volume   510.36544789
_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  0.68952700  0.68952700  0.31047300  1.0
  Zr  Zr1  1  0.31047300  0.31047300  0.68952700  1.0
  Zr  Zr2  1  0.68952700  0.31047300  0.68952700  1.0
  Zr  Zr3  1  0.31047300  0.68952700  0.31047300  1.0
  Zr  Zr4  1  0.31047300  0.68952700  0.68952700  1.0
  Zr  Zr5  1  0.68952700  0.31047300  0.31047300  1.0
  Zr  Zr6  1  0.56047300  0.56047300  0.93952700  1.0
  Zr  Zr7  1  0.93952700  0.93952700  0.56047300  1.0
  Zr  Zr8  1  0.56047300  0.93952700  0.56047300  1.0
  Zr  Zr9  1  0.93952700  0.56047300  0.93952700  1.0
  Zr  Zr10  1  0.93952700  0.56047300  0.56047300  1.0
  Zr  Zr11  1  0.56047300  0.93952700  0.93952700  1.0
  Zr  Zr12  1  0.62500000  0.12500000  0.12500000  1.0
  Zr  Zr13  1  0.12500000  0.62500000  0.12500000  1.0
  Zr  Zr14  1  0.12500000  0.12500000  0.62500000  1.0
  Zr  Zr15  1  0.12500000  0.12500000  0.12500000  1.0
  Fe  Fe16  1  0.00925400  0.33024900  0.33024900  1.0
  Fe  Fe17  1  0.33024900  0.00925400  0.33024900  1.0
  Fe  Fe18  1  0.33024900  0.33024900  0.00925400  1.0
  Fe  Fe19  1  0.33024900  0.33024900  0.33024900  1.0
  Fe  Fe20  1  0.24074600  0.91975100  0.91975100  1.0
  Fe  Fe21  1  0.91975100  0.24074600  0.91975100  1.0
  Fe  Fe22  1  0.91975100  0.91975100  0.24074600  1.0
  Fe  Fe23  1  0.91975100  0.91975100  0.91975100  1.0
  H  H24  1  0.74610700  0.41796400  0.41796400  1.0
  H  H25  1  0.41796400  0.74610700  0.41796400  1.0
  H  H26  1  0.41796400  0.41796400  0.74610700  1.0
  H  H27  1  0.41796400  0.41796400  0.41796400  1.0
  H  H28  1  0.50389300  0.83203600  0.83203600  1.0
  H  H29  1  0.83203600  0.50389300  0.83203600  1.0
  H  H30  1  0.83203600  0.83203600  0.50389300  1.0
  H  H31  1  0.83203600  0.83203600  0.83203600  1.0
  O  O32  1  0.12500000  0.62500000  0.62500000  1.0
  O  O33  1  0.62500000  0.12500000  0.62500000  1.0
  O  O34  1  0.62500000  0.62500000  0.12500000  1.0
  O  O35  1  0.62500000  0.62500000  0.62500000  1.0