data_[K4Mn8Tl4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6898]
_cell_length_b [14.0141]
_cell_length_c [7.6303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMn2TlBr6]
_chemical_formula_sum '[K4 Mn8 Tl4 Br24]'
_cell_volume [1539.4669]
_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  0.1998  0.7500  1.0
  Mn  Mn1  8  0.2075  0.0865  0.2755  1.0
  Tl  Tl2  4  0.0000  0.4008  0.2500  1.0
  Br  Br3  8  0.1213  0.4035  0.6684  1.0
  Br  Br4  8  0.1362  0.2346  0.1423  1.0
  Br  Br5  8  0.1447  0.0517  0.5622  1.0
]