# generated using pymatgen
data_NaLaH6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20283011
_cell_length_b   5.20282974
_cell_length_c   5.20282987
_cell_angle_alpha   59.99999921
_cell_angle_beta   60.00000153
_cell_angle_gamma   60.00000233
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaH6Ir
_chemical_formula_sum   'Na1 La1 H6 Ir1'
_cell_volume   99.58728572
_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  0.25000000  0.25000000  0.25000000  1.0
  La  La1  1  0.75000000  0.75000000  0.75000000  1.0
  H  H2  1  0.76784048  0.23215952  0.23215952  1.0
  H  H3  1  0.23215952  0.76784048  0.23215952  1.0
  H  H4  1  0.76784048  0.76784048  0.23215952  1.0
  H  H5  1  0.23215952  0.76784048  0.76784048  1.0
  H  H6  1  0.76784048  0.23215952  0.76784048  1.0
  H  H7  1  0.23215952  0.23215952  0.76784048  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.00000000  1.0