data_TcMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   144.85
_cell_angle_beta   129.13
_cell_angle_gamma   63.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMoW2
_chemical_formula_sum   'Tc1 Mo1 W2'
_cell_volume   62.86
_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  0.44  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.24  0.25  1.0
  W  W3  1  0.58  0.0  0.19  1.0

data_TcMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.49
_cell_length_c   5.22
_cell_angle_alpha   115.43
_cell_angle_beta   107.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMoW2
_chemical_formula_sum   'Tc1 Mo1 W2'
_cell_volume   62.86
_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  0.44  0.44  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.19  0.62  1.0
  W  W3  1  0.76  0.01  0.01  1.0

Tc Mo W W