data_[K2Mn2Tl2Cl8]
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 [P2_1/m]
_cell_length_a [7.3383]
_cell_length_b [7.2358]
_cell_length_c [8.8201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMnTlCl4]
_chemical_formula_sum '[K2 Mn2 Tl2 Cl8]'
_cell_volume [444.7083]
_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  0.2168  0.2500  0.5554  1
  Mn  Mn1  2  0.2335  0.7500  0.3019  1
  Tl  Tl2  2  0.2703  0.2500  0.0696  1
  Cl  Cl3  4  0.0155  0.5012  0.2479  1
  Cl  Cl4  2  0.4185  0.7500  0.5724  1
  Cl  Cl5  2  0.4254  0.7500  0.1341  1
]