data_[Sr1Ag2Ir1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9117]
_cell_length_b [8.3350]
_cell_length_c [7.1016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrAg2IrBr8]
_chemical_formula_sum '[Sr1 Ag2 Ir1 Br8]'
_cell_volume [383.1673]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1.0
  Ag  Ag1  2  0.0000  0.2570  0.5000  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2436  0.2062  0.2202  1.0
  Br  Br4  2  0.1945  0.0000  0.7667  1.0
  Br  Br5  2  0.2504  0.5000  0.7202  1.0
]