data_[K2Tl4Re2Cl12]
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
  Re  1.9000  1.3500  0.7125
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.1636]
_cell_length_b [10.7298]
_cell_length_c [8.3724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [KTl2ReCl6]
_chemical_formula_sum '[K2 Tl4 Re2 Cl12]'
_cell_volume [643.5394]
_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  0.0000  0.5000  0.3117  1
  Tl  Tl1  4  0.0000  0.3008  0.8207  1
  Re  Re2  2  0.0000  0.0000  0.1980  1
  Cl  Cl3  4  0.0000  0.2239  0.1960  1
  Cl  Cl4  4  0.2385  0.0000  0.9948  1
  Cl  Cl5  4  0.2414  0.0000  0.3959  1
]