data_[Mn4Tl12Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmc2_1]
_cell_length_a [12.1631]
_cell_length_b [15.2887]
_cell_length_c [7.7934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mn(TlCl2)3]
_chemical_formula_sum '[Mn4 Tl12 Cl24]'
_cell_volume [1449.2451]
_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
[
  Mn  Mn0  4  0.0000  0.1726  0.5122  1.0
  Tl  Tl1  8  0.2048  0.0995  0.9725  1.0
  Tl  Tl2  4  0.0000  0.4055  0.9992  1.0
  Cl  Cl3  8  0.1584  0.4925  0.7368  1.0
  Cl  Cl4  8  0.1703  0.2126  0.5785  1.0
  Cl  Cl5  4  0.0000  0.0458  0.6576  1.0
  Cl  Cl6  4  0.0000  0.2160  0.2407  1.0
]