data_[Rb4Mn2Tl2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P2_1/c]
_cell_length_a [8.3243]
_cell_length_b [8.7193]
_cell_length_c [14.6014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2MnTlI6]
_chemical_formula_sum '[Rb4 Mn2 Tl2 I12]'
_cell_volume [873.7277]
_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
[
  Rb  Rb0  4  0.2229  0.0741  0.2465  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.1424  0.2247  0.9631  1.0
  I  I4  4  0.2363  0.6769  0.9601  1.0
  I  I5  4  0.3043  0.0062  0.7277  1.0
]