data_SiTcW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.1
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   94.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcW2
_chemical_formula_sum   'Si1 Tc1 W2'
_cell_volume   59.7
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.81  0.0  0.58  1.0
  W  W2  1  0.2  0.05  0.89  1.0
  W  W3  1  0.24  0.05  0.26  1.0

data_SiTcW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.1
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   94.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcW2
_chemical_formula_sum   'Si1 Tc1 W2'
_cell_volume   59.7
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.81  0.0  0.58  1.0
  W  W2  1  0.2  0.05  0.89  1.0
  W  W3  1  0.24  0.05  0.26  1.0

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