data_[Cs4Zr2Br12Cl2]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.4056]
_cell_length_b [7.8364]
_cell_length_c [8.9436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cs2ZrBr6Cl]
_chemical_formula_sum '[Cs4 Zr2 Br12 Cl2]'
_cell_volume [829.9905]
_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  0.2409  0.0666  0.2620  1
  Zr  Zr1  2  0.0000  0.0639  0.5000  1
  Br  Br2  4  0.0060  0.3388  0.6866  1
  Br  Br3  4  0.0186  0.8526  0.7418  1
  Br  Br4  4  0.2230  0.0650  0.6775  1
  Cl  Cl5  2  0.0000  0.3006  0.0000  1
]