data_[Sr2Ir2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [11.2606]
_cell_length_b [4.0084]
_cell_length_c [5.2771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrIrBr2]
_chemical_formula_sum '[Sr2 Ir2 Br4]'
_cell_volume [237.5383]
_cell_formula_units_Z [2]
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  2  0.2471  0.5000  0.7642  1
  Ir  Ir1  2  0.4497  0.0000  0.6166  1
  Br  Br2  2  0.0252  0.0000  0.8404  1
  Br  Br3  2  0.2781  0.0000  0.2788  1
]