data_[Na4Ga12Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8461]
_cell_length_b [5.3293]
_cell_length_c [9.2423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaGa3Ir]
_chemical_formula_sum '[Na4 Ga12 Ir4]'
_cell_volume [374.1894]
_cell_formula_units_Z [4]
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  4  0.3445  0.5660  0.2656  1
  Ga  Ga1  4  0.0540  0.6591  0.8987  1
  Ga  Ga2  4  0.2641  0.0243  0.1155  1
  Ga  Ga3  4  0.3586  0.0963  0.4185  1
  Ir  Ir4  4  0.0444  0.1697  0.8811  1
]