# generated using pymatgen
data_NaCe(BIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07670334
_cell_length_b   6.12024224
_cell_length_c   5.49571735
_cell_angle_alpha   74.85028176
_cell_angle_beta   56.59368066
_cell_angle_gamma   48.55603204
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCe(BIr)4
_chemical_formula_sum   'Na1 Ce1 B4 Ir4'
_cell_volume   146.91227786
_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  0.75000000  0.75000000  0.75000000  1.0
  Ce  Ce1  1  0.50000000  0.50000000  0.50000000  1.0
  B  B2  1  0.06994004  0.43005996  0.06994004  1.0
  B  B3  1  0.82524107  0.17475893  0.82524107  1.0
  B  B4  1  0.43005996  0.06994004  0.43005996  1.0
  B  B5  1  0.17475893  0.82524107  0.17475893  1.0
  Ir  Ir6  1  0.37875191  0.37875191  0.12124809  1.0
  Ir  Ir7  1  0.13200596  0.13200596  0.86799404  1.0
  Ir  Ir8  1  0.86799404  0.86799404  0.13200596  1.0
  Ir  Ir9  1  0.12124809  0.12124809  0.37875191  1.0