data_[Tl8Cr4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1789]
_cell_length_b [7.8283]
_cell_length_c [6.8251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl2CrSe3]
_chemical_formula_sum '[Tl8 Cr4 Se12]'
_cell_volume [694.5539]
_cell_formula_units_Z [4]
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  8  0.1628  0.3479  0.1562  1.0
  Cr  Cr1  4  0.0000  0.0779  0.7500  1.0
  Se  Se2  8  0.1217  0.0605  0.4974  1.0
  Se  Se3  4  0.0000  0.3770  0.7500  1.0
]