data_[Tl6Zn2Cr4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7091]
_cell_length_b [11.6274]
_cell_length_c [7.6673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Zn(CrSe3)2]
_chemical_formula_sum '[Tl6 Zn2 Cr4 Se12]'
_cell_volume [572.2416]
_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
[
  Tl  Tl0  4  0.0000  0.1627  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr3  4  0.0000  0.3326  0.0000  1.0
  Se  Se4  8  0.2353  0.1733  0.1851  1.0
  Se  Se5  4  0.2160  0.5000  0.1769  1.0
]