# generated using pymatgen
data_NaHf3H8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74713778
_cell_length_b   4.74713778
_cell_length_c   4.74713778
_cell_angle_alpha   89.97661871
_cell_angle_beta   90.02338129
_cell_angle_gamma   89.97663059
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf3H8
_chemical_formula_sum   'Na1 Hf3 H8'
_cell_volume   106.97822841
_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
  Na  Na0  1  0.00000000  0.49999900  0.50000000  1.0
  Hf  Hf1  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf2  1  0.50000000  0.50000000  0.00000000  1.0
  Hf  Hf3  1  0.49999900  0.00000000  0.50000000  1.0
  H  H4  1  0.26168960  0.23829807  0.23814944  1.0
  H  H5  1  0.26184856  0.76169060  0.23829907  1.0
  H  H6  1  0.73830007  0.23814944  0.23830940  1.0
  H  H7  1  0.73819374  0.76180626  0.23819574  1.0
  H  H8  1  0.26180426  0.23819474  0.76180526  1.0
  H  H9  1  0.26170293  0.76184756  0.76169160  1.0
  H  H10  1  0.73815044  0.23831140  0.76169993  1.0
  H  H11  1  0.73830840  0.76169993  0.76184856  1.0