data_[Cs2Mn2Tl4Br12]
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 [P2_1/c]
_cell_length_a [7.9125]
_cell_length_b [9.4071]
_cell_length_c [12.9742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsMn(TlBr3)2]
_chemical_formula_sum '[Cs2 Mn2 Tl4 Br12]'
_cell_volume [779.0173]
_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  0.5000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2851  0.5096  0.7805  1.0
  Br  Br3  4  0.0478  0.6493  0.1733  1.0
  Br  Br4  4  0.2786  0.1641  0.6613  1.0
  Br  Br5  4  0.3086  0.6592  0.0054  1.0
]