data_[Cs2Ti2Cr2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6377]
_cell_length_b [11.0913]
_cell_length_c [7.8227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsTiCrCl6]
_chemical_formula_sum '[Cs2 Ti2 Cr2 Cl12]'
_cell_volume [575.7057]
_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  2  0.0000  0.9927  0.5000  1.0
  Ti  Ti1  2  0.0000  0.3275  0.0000  1.0
  Cr  Cr2  2  0.0000  0.6649  0.0000  1.0
  Cl  Cl3  4  0.1198  0.5013  0.1808  1.0
  Cl  Cl4  4  0.1776  0.1912  0.1854  1.0
  Cl  Cl5  4  0.1860  0.8150  0.1697  1.0
]