data_[Cs2Tl2Cr2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8376]
_cell_length_b [7.4936]
_cell_length_c [8.1184]
_cell_angle_alpha [70.5594]
_cell_angle_beta [85.4286]
_cell_angle_gamma [79.6640]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTlCrSe3]
_chemical_formula_sum '[Cs2 Tl2 Cr2 Se6]'
_cell_volume [385.8062]
_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
[
  Cs  Cs0  2  0.2911  0.8034  0.5004  1.0
  Tl  Tl1  2  0.1638  0.5034  0.1942  1.0
  Cr  Cr2  2  0.2494  0.0574  0.9233  1.0
  Se  Se3  2  0.0021  0.1466  0.1183  1.0
  Se  Se4  2  0.1949  0.2760  0.6394  1.0
  Se  Se5  2  0.4991  0.2185  0.0065  1.0
]