data_[Ba1Zr1Ag2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9724]
_cell_length_b [7.5087]
_cell_length_c [9.1907]
_cell_angle_alpha [69.5673]
_cell_angle_beta [89.0946]
_cell_angle_gamma [80.2529]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaZr(AgBr4)2]
_chemical_formula_sum '[Ba1 Zr1 Ag2 Br8]'
_cell_volume [443.8938]
_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  0.5000  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.4852  0.3347  0.6909  1.0
  Br  Br3  2  0.0943  0.2466  0.7245  1.0
  Br  Br4  2  0.1331  0.2060  0.1454  1.0
  Br  Br5  2  0.3465  0.7819  0.0261  1.0
  Br  Br6  2  0.4280  0.7350  0.5714  1.0
]