data_[K1Tl2Re1I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0787]
_cell_length_b [9.8263]
_cell_length_c [8.1023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KTl2ReI8]
_chemical_formula_sum '[K1 Tl2 Re1 I8]'
_cell_volume [529.4255]
_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
[
  K  K0  1  0.0000  0.5000  0.0000  1
  Tl  Tl1  2  0.0000  0.2582  0.5000  1
  Re  Re2  1  0.0000  0.0000  0.0000  1
  I  I3  4  0.2409  0.1948  0.2125  1
  I  I4  2  0.2372  0.0000  0.7987  1
  I  I5  2  0.2930  0.5000  0.7204  1
]