data_[Cs1Zr1In2Cl8]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1932]
_cell_length_b [7.2046]
_cell_length_c [8.2133]
_cell_angle_alpha [98.4571]
_cell_angle_beta [90.8017]
_cell_angle_gamma [92.9253]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsZr(InCl4)2]
_chemical_formula_sum '[Cs1 Zr1 In2 Cl8]'
_cell_volume [420.3731]
_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  0.5000  0.0000  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.2169  0.9981  0.5052  1.0
  Cl  Cl3  2  0.0140  0.2672  0.8403  1.0
  Cl  Cl4  2  0.2384  0.1672  0.2026  1.0
  Cl  Cl5  2  0.2479  0.8519  0.8213  1.0
  Cl  Cl6  2  0.4864  0.7709  0.4006  1.0
]