data_[Sr4Ru4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0252]
_cell_length_b [7.8088]
_cell_length_c [7.2732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrRuBrO4]
_chemical_formula_sum '[Sr4 Ru4 Br4 O16]'
_cell_volume [607.1636]
_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
[
  Sr  Sr0  4  0.2247  0.0000  0.1269  1.0
  Ru  Ru1  4  0.1338  0.5000  0.2635  1.0
  Br  Br2  4  0.0208  0.0000  0.7519  1.0
  O  O3  8  0.1848  0.3236  0.1489  1.0
  O  O4  4  0.0292  0.5000  0.7853  1.0
  O  O5  4  0.2032  0.5000  0.5054  1.0
]