data_Tc2AsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AsW
_chemical_formula_sum   'Tc2 As1 W1'
_cell_volume   62.08
_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  0.55  0.0  0.09  1.0
  Tc  Tc2  1  0.55  0.0  0.37  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.23  1.0

data_Tc2AsW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AsW
_chemical_formula_sum   'Tc2 As1 W1'
_cell_volume   62.08
_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  0.55  0.0  0.09  1.0
  Tc  Tc1  1  0.55  0.0  0.37  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.23  1.0

Tc Tc As W
Tc Tc As W 0 2 o o o 0 2 + o o 0 3 + o o 0 3 o o o 1 3 o o o 1 3 + o o 2 3 o o o 