data_[Na4Sr12Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.2616]
_cell_length_b [7.3501]
_cell_length_c [11.7569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaSr3Ir]
_chemical_formula_sum '[Na4 Sr12 Ir4]'
_cell_volume [760.2192]
_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  0.1538  0.6425  0.0547  1.0
  Sr  Sr1  4  0.0330  0.0584  0.8075  1.0
  Sr  Sr2  4  0.3036  0.2019  0.1796  1.0
  Sr  Sr3  4  0.4138  0.7290  0.9416  1.0
  Ir  Ir4  4  0.2513  0.1299  0.4112  1.0
]