data_[Cs4Mn2Tl4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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/m]
_cell_length_a [8.5450]
_cell_length_b [13.6673]
_cell_length_c [7.4636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Mn(TlCl3)2]
_chemical_formula_sum '[Cs4 Mn2 Tl4 Cl12]'
_cell_volume [830.8976]
_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
[
  Cs  Cs0  4  0.0000  0.3434  0.5000  1
  Mn  Mn1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.0000  0.1612  0.0000  1
  Cl  Cl3  8  0.1856  0.1315  0.7009  1
  Cl  Cl4  4  0.1767  0.0000  0.2632  1
]