data_[Ba4Re4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Re  1.9000  1.3500  0.7125
  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 [11.3752]
_cell_length_b [8.2984]
_cell_length_c [7.7695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaReBrO4]
_chemical_formula_sum '[Ba4 Re4 Br4 O16]'
_cell_volume [710.0569]
_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
[
  Ba  Ba0  4  0.2181  0.0000  0.1428  1.0
  Re  Re1  4  0.1319  0.5000  0.2556  1.0
  Br  Br2  4  0.0352  0.0000  0.7572  1.0
  O  O3  8  0.1764  0.3289  0.1535  1.0
  O  O4  4  0.0262  0.5000  0.7822  1.0
  O  O5  4  0.1963  0.5000  0.4848  1.0
]