data_TcRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   2.73
_cell_angle_alpha   100.75
_cell_angle_beta   100.75
_cell_angle_gamma   115.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcRuW2
_chemical_formula_sum   'Tc1 Ru1 W2'
_cell_volume   61.29
_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
  Ru  Ru0  1  0.74  0.0  0.0  1.0
  W  W2  1  0.89  0.18  0.28  1.0
  W  W3  1  0.89  0.82  0.28  1.0

data_TcRuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   115.76
_cell_angle_beta   100.75
_cell_angle_gamma   100.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcRuW2
_chemical_formula_sum   'Tc1 Ru1 W2'
_cell_volume   61.29
_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  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.74  0.0  1.0
  W  W2  1  0.28  0.89  0.18  1.0
  W  W3  1  0.28  0.89  0.82  1.0

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