data_[Cs4Mn8Tl4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0837]
_cell_length_b [14.1214]
_cell_length_c [7.8921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsMn2TlBr6]
_chemical_formula_sum '[Cs4 Mn8 Tl4 Br24]'
_cell_volume [1631.0533]
_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
[
  Cs  Cs0  4  0.0000  0.1839  0.7500  1.0
  Mn  Mn1  8  0.2150  0.0869  0.2633  1.0
  Tl  Tl2  4  0.0000  0.3971  0.2500  1.0
  Br  Br3  8  0.1167  0.4130  0.6665  1.0
  Br  Br4  8  0.1427  0.0279  0.5103  1.0
  Br  Br5  8  0.1525  0.2447  0.1750  1.0
]