data_[Ta2Tl2Pd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [P2_1/m]
_cell_length_a [8.2483]
_cell_length_b [3.6851]
_cell_length_c [10.2095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaTlPdSe3]
_chemical_formula_sum '[Ta2 Tl2 Pd2 Se6]'
_cell_volume [285.0770]
_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
[
  Ta  Ta0  2  0.2905  0.7500  0.8285  1.0
  Tl  Tl1  2  0.2681  0.2500  0.3046  1.0
  Pd  Pd2  2  0.0666  0.2500  0.6230  1.0
  Se  Se3  2  0.0960  0.2500  0.8775  1.0
  Se  Se4  2  0.2657  0.7500  0.5729  1.0
  Se  Se5  2  0.4533  0.7500  0.1203  1.0
]