data_[Tl6Cr2Pb4Se12]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3215]
_cell_length_b [12.6745]
_cell_length_c [7.6726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Cr(PbSe3)2]
_chemical_formula_sum '[Tl6 Cr2 Pb4 Se12]'
_cell_volume [671.6269]
_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  0.1740  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  4  0.0000  0.3353  0.0000  1.0
  Se  Se4  8  0.2133  0.1419  0.2041  1.0
  Se  Se5  4  0.2138  0.0000  0.7873  1.0
]