data_[K4Mn4Tl4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6069]
_cell_length_b [14.3309]
_cell_length_c [10.0782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMnTlCl5]
_chemical_formula_sum '[K4 Mn4 Tl4 Cl20]'
_cell_volume [1137.3272]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.0000  0.3215  0.2500  1.0
  Tl  Tl2  4  0.0000  0.3062  0.7500  1.0
  Cl  Cl3  8  0.0797  0.2177  0.1225  1.0
  Cl  Cl4  8  0.1122  0.4229  0.4285  1.0
  Cl  Cl5  4  0.0000  0.1116  0.7500  1.0
]