data_[Cs1Zr1Ag2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.1925]
_cell_length_b [7.1694]
_cell_length_c [9.7823]
_cell_angle_alpha [85.5785]
_cell_angle_beta [74.9287]
_cell_angle_gamma [85.6558]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsZr(AgBr4)2]
_chemical_formula_sum '[Cs1 Zr1 Ag2 Br8]'
_cell_volume [417.4088]
_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
[
  Cs  Cs0  1  0.5000  0.0000  0.5000  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.3198  0.4343  0.2083  1.0
  Br  Br3  2  0.1075  0.0965  0.2340  1.0
  Br  Br4  2  0.2587  0.5007  0.4789  1.0
  Br  Br5  2  0.2645  0.6782  0.9826  1.0
  Br  Br6  2  0.3177  0.1881  0.8376  1.0
]