data_[Na4Mn8Tl4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [13.3462]
_cell_length_b [13.2200]
_cell_length_c [7.0214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMn2TlCl6]
_chemical_formula_sum '[Na4 Mn8 Tl4 Cl24]'
_cell_volume [1225.0742]
_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
[
  Na  Na0  4  0.0000  0.2837  0.7500  1.0
  Mn  Mn1  8  0.1957  0.4148  0.2838  1.0
  Tl  Tl2  4  0.0000  0.0980  0.2500  1.0
  Cl  Cl3  8  0.1163  0.2815  0.1085  1.0
  Cl  Cl4  8  0.1287  0.1076  0.6719  1.0
  Cl  Cl5  8  0.1447  0.4320  0.6019  1.0
]