data_[Cs2Mn4Tl4Cl14]
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 [Imm2]
_cell_length_a [4.5079]
_cell_length_b [24.1622]
_cell_length_c [7.0804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsMn2Tl2Cl7]
_chemical_formula_sum '[Cs2 Mn4 Tl4 Cl14]'
_cell_volume [771.2062]
_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  2  0.0000  0.0000  0.0688  1.0
  Mn  Mn1  4  0.0000  0.3973  0.0461  1.0
  Tl  Tl2  4  0.0000  0.2955  0.6071  1.0
  Cl  Cl3  4  0.0000  0.1128  0.3891  1.0
  Cl  Cl4  4  0.0000  0.2910  0.0691  1.0
  Cl  Cl5  4  0.0000  0.4083  0.3743  1.0
  Cl  Cl6  2  0.0000  0.5000  0.9594  1.0
]