data_[Ba2Ag2Br8]
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 [Pmmn]
_cell_length_a [5.2588]
_cell_length_b [10.1041]
_cell_length_c [8.0943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [BaAgBr4]
_chemical_formula_sum '[Ba2 Ag2 Br8]'
_cell_volume [430.0887]
_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  0.0000  0.0000  0.4881  1.0
  Ag  Ag1  2  0.0000  0.5000  0.0918  1.0
  Br  Br2  4  0.0000  0.3182  0.3493  1.0
  Br  Br3  2  0.0000  0.0000  0.9086  1.0
  Br  Br4  2  0.0000  0.5000  0.7730  1.0
]