data_[Mn2Tl6Rh4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6403]
_cell_length_b [11.5078]
_cell_length_c [7.7006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnTl3(RhSe3)2]
_chemical_formula_sum '[Mn2 Tl6 Rh4 Se12]'
_cell_volume [564.0426]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1653  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Rh  Rh3  4  0.0000  0.3335  0.0000  1.0
  Se  Se4  8  0.2268  0.1690  0.1747  1.0
  Se  Se5  4  0.2195  0.5000  0.1715  1.0
]