data_TlTePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.11
_cell_length_c   3.43
_cell_angle_alpha   76.37
_cell_angle_beta   75.77
_cell_angle_gamma   27.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTePd
_chemical_formula_sum   'Tl1 Te1 Pd1'
_cell_volume   78.58
_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  Tl2  1  0.4  0.45  0.78  1.0
  Te  Te1  1  0.4  0.45  0.3  1.0
  Pd  Pd0  1  0.4  0.45  0.31  1.0

data_TlTePd
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.43
_cell_length_b   13.38
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   TlTePd
_chemical_formula_sum   'Tl2 Te2 Pd2'
_cell_volume   157.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.0  0.0  0.77  1.0
  Te  Te1  2  0.0  0.0  0.25  1.0
  Pd  Pd2  2  0.0  0.0  0.24  1.0

Tl Te Pd
Tl Te Pd 0 2 o o o 0 2 o o + 0 1 o o o 0 1 o o + 1 2 o o o 