# generated using pymatgen
data_NaBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27632389
_cell_length_b   4.27632389
_cell_length_c   5.79882743
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBH4
_chemical_formula_sum   'Na2 B2 H8'
_cell_volume   106.04284415
_cell_formula_units_Z   2
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  0.50000000  0.50000000  0.50000000  1.0
  Na  Na1  1  0.00000000  -0.00000000  0.00000000  1.0
  B  B2  1  0.50000000  0.50000000  -0.00000000  1.0
  B  B3  1  0.00000000  -0.00000000  0.50000000  1.0
  H  H4  1  0.99141903  0.23321254  0.37927869  1.0
  H  H5  1  0.00858097  0.76678746  0.37927869  1.0
  H  H6  1  0.23321254  0.00858097  0.62072131  1.0
  H  H7  1  0.49141903  0.26678746  0.12072131  1.0
  H  H8  1  0.26678746  0.50858097  0.87927869  1.0
  H  H9  1  0.76678746  0.99141903  0.62072131  1.0
  H  H10  1  0.73321254  0.49141903  0.87927869  1.0
  H  H11  1  0.50858097  0.73321254  0.12072131  1.0