data_[Cs4Rb2Zr2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.9800]
_cell_length_b [12.0409]
_cell_length_c [9.2521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2RbZrBr6]
_chemical_formula_sum '[Cs4 Rb2 Zr2 Br12]'
_cell_volume [888.9998]
_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
[
  Cs  Cs0  4  0.0000  0.2831  0.1900  1.0
  Rb  Rb1  2  0.0000  0.5000  0.6997  1.0
  Zr  Zr2  2  0.0000  0.0000  0.7939  1.0
  Br  Br3  4  0.0000  0.2281  0.7933  1.0
  Br  Br4  4  0.2329  0.0000  0.0105  1.0
  Br  Br5  4  0.2436  0.0000  0.5910  1.0
]