data_TlVPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVPd
_chemical_formula_sum   'Tl1 V1 Pd1'
_cell_volume   55.27
_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  Tl1  1  0.54  0.89  0.25  1.0
  V  V2  1  0.0  0.0  0.66  1.0
  Pd  Pd0  1  1.0  0.77  0.61  1.0

data_TlVPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVPd
_chemical_formula_sum   'Tl1 V1 Pd1'
_cell_volume   55.27
_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  0.54  0.89  0.25  1.0
  V  V1  1  0.0  0.0  0.66  1.0
  Pd  Pd2  1  1.0  0.77  0.61  1.0

Tl V Pd
Tl V Pd 0 2 - o o 0 2 o o o 0 2 o + o 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o + o 0 1 + + o 1 2 - - o 