data_[K1Mn1Tl2Cl6]
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 [P-1]
_cell_length_a [7.3583]
_cell_length_b [7.3836]
_cell_length_c [7.4070]
_cell_angle_alpha [117.9316]
_cell_angle_beta [90.1968]
_cell_angle_gamma [116.0822]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMn(TlCl3)2]
_chemical_formula_sum '[K1 Mn1 Tl2 Cl6]'
_cell_volume [308.0223]
_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  0.5000  0.0000  0.0000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.2153  0.5055  0.2799  1.0
  Cl  Cl3  2  0.1180  0.9677  0.2044  1.0
  Cl  Cl4  2  0.1922  0.4719  0.6793  1.0
  Cl  Cl5  2  0.3000  0.0379  0.6473  1.0
]