data_TlTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   6.19
_cell_angle_alpha   101.87
_cell_angle_beta   101.87
_cell_angle_gamma   43.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTePd2
_chemical_formula_sum   'Tl1 Te1 Pd2'
_cell_volume   84.59
_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  0.52  0.0  0.02  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.09  0.0  0.51  1.0
  Pd  Pd1  1  0.94  0.0  0.53  1.0

data_TlTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.52
_cell_length_c   6.19
_cell_angle_alpha   101.87
_cell_angle_beta   90.0
_cell_angle_gamma   111.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTePd2
_chemical_formula_sum   'Tl1 Te1 Pd2'
_cell_volume   84.59
_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  0.48  0.98  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.06  0.47  1.0
  Pd  Pd3  1  0.0  0.91  0.49  1.0

Tl Te Pd Pd