data_[Ba1Ag6Br1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.7356]
_cell_length_b [5.7356]
_cell_length_c [7.7800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [BaAg6BrO4]
_chemical_formula_sum '[Ba1 Ag6 Br1 O4]'
_cell_volume [221.6536]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1
  Ag  Ag1  6  0.0000  0.5000  0.3261  1
  Br  Br2  1  0.0000  0.0000  0.5000  1
  O  O3  4  0.3333  0.6667  0.1013  1
]