data_[Tl4Pd2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.8129]
_cell_length_b [4.3272]
_cell_length_c [7.1057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2PdSe]
_chemical_formula_sum '[Tl4 Pd2 Se2]'
_cell_volume [224.8361]
_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  0.1065  0.0000  0.5357  1.0
  Tl  Tl1  2  0.2964  0.0000  0.1239  1.0
  Pd  Pd2  2  0.3545  0.5000  0.8259  1.0
  Se  Se3  2  0.0322  0.5000  0.8319  1.0
]