data_[Cs2K4Cr2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4947]
_cell_length_b [7.8644]
_cell_length_c [12.9660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsK2CrCl6]
_chemical_formula_sum '[Cs2 K4 Cr2 Cl12]'
_cell_volume [634.2280]
_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  0.5000  0.0000  0.0000  1.0
  K  K1  4  0.2184  0.5757  0.7475  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.0542  0.7484  0.4174  1.0
  Cl  Cl4  4  0.1866  0.1603  0.4345  1.0
  Cl  Cl5  4  0.3303  0.5566  0.1939  1.0
]