data_[Tl2Cr2Pd2Se6]
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
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8721]
_cell_length_b [3.6860]
_cell_length_c [9.9962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCrPdSe3]
_chemical_formula_sum '[Tl2 Cr2 Pd2 Se6]'
_cell_volume [270.3797]
_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  2  0.2557  0.2500  0.2970  1.0
  Cr  Cr1  2  0.3034  0.7500  0.8480  1.0
  Pd  Pd2  2  0.0523  0.2500  0.6258  1.0
  Se  Se3  2  0.1057  0.2500  0.8856  1.0
  Se  Se4  2  0.2585  0.7500  0.5899  1.0
  Se  Se5  2  0.4618  0.7500  0.1225  1.0
]