data_[Rb6Tm4Tl2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3241]
_cell_length_b [12.6839]
_cell_length_c [8.3800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Tm2TlSe6]
_chemical_formula_sum '[Rb6 Tm4 Tl2 Se12]'
_cell_volume [744.8349]
_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  0.0000  0.1644  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.0000  0.3330  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2350  0.1699  0.1952  1.0
  Se  Se5  4  0.2249  0.5000  0.1945  1.0
]