data_[K2Tl4Cr2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  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 [7.1776]
_cell_length_b [7.8247]
_cell_length_c [12.6502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KTl2CrCl6]
_chemical_formula_sum '[K2 Tl4 Cr2 Cl12]'
_cell_volume [590.9380]
_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
[
  K  K0  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2794  0.5662  0.7563  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1220  0.5399  0.2153  1.0
  Cl  Cl4  4  0.2190  0.2461  0.0573  1.0
  Cl  Cl5  4  0.3076  0.6640  0.0347  1.0
]