data_[Cs3Mn3Tl6I18]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.5546]
_cell_length_b [8.5546]
_cell_length_c [22.5124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsMn(TlI3)2]
_chemical_formula_sum '[Cs3 Mn3 Tl6 I18]'
_cell_volume [1426.7493]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1885  1.0
  Mn  Mn1  3  0.0000  0.0000  0.6695  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0010  1.0
  Tl  Tl3  3  0.0000  0.0000  0.4728  1.0
  I  I4  9  0.0392  0.7566  0.5939  1.0
  I  I5  9  0.0689  0.3888  0.4081  1.0
]