data_TlPd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   4.72
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPd2Se
_chemical_formula_sum   'Tl1 Pd2 Se1'
_cell_volume   82.57
_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  0.78  0.36  0.21  1.0
  Pd  Pd0  1  0.78  0.0  0.5  1.0
  Pd  Pd1  1  0.0  0.36  0.75  1.0
  Se  Se2  1  0.0  0.0  0.8  1.0

data_TlPd2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.72
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPd2Se
_chemical_formula_sum   'Tl1 Pd2 Se1'
_cell_volume   82.57
_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  0.78  0.36  0.21  1.0
  Pd  Pd1  1  0.0  0.36  0.75  1.0
  Pd  Pd2  1  0.78  0.0  0.5  1.0
  Se  Se3  1  0.0  0.0  0.8  1.0

Tl Pd Pd Se