data_[Zr1Ag1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [6.5272]
_cell_length_b [7.1680]
_cell_length_c [7.2137]
_cell_angle_alpha [116.4483]
_cell_angle_beta [115.9821]
_cell_angle_gamma [90.2843]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZrAgBr6]
_chemical_formula_sum '[Zr1 Ag1 Br6]'
_cell_volume [263.1125]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.5000  0.5000  0.0000  1.0
  Br  Br2  2  0.0386  0.2134  0.4177  1.0
  Br  Br3  2  0.2585  0.7638  0.1663  1.0
  Br  Br4  2  0.4048  0.2702  0.1699  1.0
]