data_TcPdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   3.99
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   91.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPdW2
_chemical_formula_sum   'Tc1 Pd1 W2'
_cell_volume   62.15
_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  Tc1  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.92  0.0  0.79  1.0
  W  W2  1  0.31  1.0  0.33  1.0
  W  W3  1  0.32  1.0  0.25  1.0

data_TcPdW2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.78
_cell_length_b   3.99
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   91.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TcPdW2
_chemical_formula_sum   'Tc1 Pd1 W2'
_cell_volume   62.15
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  1.0
  Pd  Pd1  1  0.92  0.0  0.79  1.0
  W  W2  1  0.31  0.0  0.33  1.0
  W  W3  1  0.32  0.0  0.25  1.0

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