data_[Tl6Cr4Ag2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8227]
_cell_length_b [11.7771]
_cell_length_c [7.5455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Cr2AgSe6]
_chemical_formula_sum '[Tl6 Cr4 Ag2 Se12]'
_cell_volume [580.4084]
_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  0.1595  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.3312  0.0000  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2451  0.1811  0.1910  1.0
  Se  Se5  4  0.2022  0.5000  0.1783  1.0
]