data_TlTe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe2Pd
_chemical_formula_sum   'Tl1 Te2 Pd1'
_cell_volume   104.28
_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  0.32  0.0  0.0  1.0
  Te  Te1  1  0.66  0.35  0.67  1.0
  Te  Te2  1  0.66  0.65  0.67  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_TlTe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   109.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe2Pd
_chemical_formula_sum   'Tl1 Te2 Pd1'
_cell_volume   104.28
_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  0.32  0.0  1.0
  Te  Te1  1  0.67  0.66  0.35  1.0
  Te  Te2  1  0.67  0.66  0.65  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Tl Te Te Pd
Tl Te Te Pd 0 3 o o o 1 2 o o o 