data_TlPdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   143.12
_cell_angle_beta   127.32
_cell_angle_gamma   66.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPdW2
_chemical_formula_sum   'Tl1 Pd1 W2'
_cell_volume   71.02
_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  0.0  0.36  0.21  1.0
  Pd  Pd0  1  0.0  0.0  0.41  1.0
  W  W2  1  0.0  0.0  0.19  1.0
  W  W3  1  0.68  0.0  0.11  1.0

data_TlPdW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.72
_cell_length_c   5.32
_cell_angle_alpha   116.34
_cell_angle_beta   108.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPdW2
_chemical_formula_sum   'Tl1 Pd1 W2'
_cell_volume   71.02
_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  0.64  0.85  0.85  1.0
  Pd  Pd1  1  0.0  0.41  0.41  1.0
  W  W2  1  0.0  0.11  0.43  1.0
  W  W3  1  0.0  0.19  0.19  1.0

Tl Pd W W
Tl Pd W W 0 2 o o o 1 2 o o o 1 3 - o o 2 3 - o o 