data_[Ba2Ag4Br2]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3614]
_cell_length_b [4.8205]
_cell_length_c [7.2853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaAg2Br]
_chemical_formula_sum '[Ba2 Ag4 Br2]'
_cell_volume [293.3106]
_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
[
  Ba  Ba0  2  0.0452  0.5000  0.4694  1
  Ag  Ag1  2  0.2003  0.0000  0.1703  1
  Ag  Ag2  2  0.3666  0.5000  0.1539  1
  Br  Br3  2  0.3879  0.5000  0.7064  1
]