data_TcPd2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.96
_cell_angle_alpha   97.82
_cell_angle_beta   97.82
_cell_angle_gamma   32.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd2W
_chemical_formula_sum   'Tc1 Pd2 W1'
_cell_volume   60.85
_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
  Tc  Tc2  1  0.26  0.0  0.46  1.0
  Pd  Pd0  1  0.32  0.0  0.91  1.0
  Pd  Pd1  1  0.74  0.0  0.68  1.0
  W  W3  1  0.69  0.0  0.23  1.0

data_TcPd2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.78
_cell_length_c   4.96
_cell_angle_alpha   97.82
_cell_angle_beta   90.0
_cell_angle_gamma   106.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd2W
_chemical_formula_sum   'Tc1 Pd2 W1'
_cell_volume   60.85
_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
  Tc  Tc0  1  0.0  0.74  0.54  1.0
  Pd  Pd1  1  0.0  0.26  0.32  1.0
  Pd  Pd2  1  0.0  0.68  0.09  1.0
  W  W3  1  0.0  0.31  0.77  1.0

Tc Pd Pd W
Tc Pd Pd W 0 3 - o o 0 3 o o o 0 0 + - o 0 2 - o o 0 2 o o o 0 1 o o - 0 1 o o o 1 1 + - o 1 2 o o o 1 2 - o o 1 3 o o + 2 3 o o o 2 3 o o + 2 2 + - o 3 3 + - o 