# generated using pymatgen
data_NaAc(BIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14292632
_cell_length_b   6.17368763
_cell_length_c   5.56653291
_cell_angle_alpha   74.74945017
_cell_angle_beta   56.49847360
_cell_angle_gamma   48.75206724
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAc(BIr)4
_chemical_formula_sum   'Na1 Ac1 B4 Ir4'
_cell_volume   151.89656781
_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  0.50000000  0.50000000  0.50000000  1.0
  Ac  Ac1  1  0.75000000  0.75000000  0.75000000  1.0
  B  B2  1  0.17684944  0.82315056  0.17684944  1.0
  B  B3  1  0.07797430  0.42202570  0.07797430  1.0
  B  B4  1  0.82315056  0.17684944  0.82315056  1.0
  B  B5  1  0.42202570  0.07797430  0.42202570  1.0
  Ir  Ir6  1  0.87158539  0.87158539  0.12841461  1.0
  Ir  Ir7  1  0.12841461  0.12841461  0.87158539  1.0
  Ir  Ir8  1  0.38331051  0.38331051  0.11668949  1.0
  Ir  Ir9  1  0.11668949  0.11668949  0.38331051  1.0