data_Tl2PdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   30.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PdW
_chemical_formula_sum   'Tl2 Pd1 W1'
_cell_volume   80.62
_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  0.4  0.0  0.35  1.0
  Tl  Tl2  1  0.0  0.0  0.11  1.0
  Pd  Pd0  1  0.0  0.0  0.03  1.0
  W  W3  1  0.4  0.0  0.28  1.0

data_Tl2PdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.81
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   105.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PdW
_chemical_formula_sum   'Tl2 Pd1 W1'
_cell_volume   80.62
_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  0.65  0.4  0.65  1.0
  Tl  Tl1  1  0.89  0.0  0.89  1.0
  Pd  Pd2  1  0.97  0.0  0.97  1.0
  W  W3  1  0.72  0.4  0.72  1.0

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