data_[Na2Sr1Ir1Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6522]
_cell_length_b [6.7933]
_cell_length_c [8.7603]
_cell_angle_alpha [84.0293]
_cell_angle_beta [87.8346]
_cell_angle_gamma [88.3827]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2SrIrBr8]
_chemical_formula_sum '[Na2 Sr1 Ir1 Br8]'
_cell_volume [393.3355]
_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  2  0.4568  0.4075  0.7377  1.0
  Sr  Sr1  1  0.0000  0.0000  0.5000  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1102  0.7495  0.2171  1.0
  Br  Br4  2  0.1837  0.8042  0.8069  1.0
  Br  Br5  2  0.3071  0.1879  0.0248  1.0
  Br  Br6  2  0.3442  0.2780  0.4573  1.0
]