data_[Tl4Te4Pd12Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8492]
_cell_length_b [16.6532]
_cell_length_c [5.8147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlTePd3Se]
_chemical_formula_sum '[Tl4 Te4 Pd12 Se4]'
_cell_volume [566.3970]
_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  4  0.0000  0.2512  0.7500  1
  Te  Te1  4  0.0000  0.1005  0.2500  1
  Pd  Pd2  8  0.2447  0.5000  0.0000  1
  Pd  Pd3  4  0.0000  0.2568  0.2500  1
  Se  Se4  4  0.0000  0.4054  0.2500  1
]