data_TlPdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   4.87
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPdSe2
_chemical_formula_sum   'Tl1 Pd1 Se2'
_cell_volume   85.04
_cell_formula_units_Z   1
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  Tl3  1  0.0  0.43  0.44  1.0
  Pd  Pd0  1  0.79  0.0  0.44  1.0
  Se  Se1  1  0.79  0.43  0.0  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_TlPdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.87
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPdSe2
_chemical_formula_sum   'Tl1 Pd1 Se2'
_cell_volume   85.04
_cell_formula_units_Z   1
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  1  0.0  0.43  0.44  1.0
  Pd  Pd1  1  0.79  0.0  0.44  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.79  0.43  0.0  1.0

Tl Pd Se Se
Tl Pd Se Se 0 1 - o o 0 2 - o o 1 3 + o o 2 3 + o o 