data_TcPbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   145.16
_cell_angle_beta   131.91
_cell_angle_gamma   60.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPbW2
_chemical_formula_sum   'Tc1 Pb1 W2'
_cell_volume   68.88
_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
  Pb  Pb0  1  0.0  0.0  0.72  1.0
  W  W2  1  0.64  0.0  0.3  1.0
  W  W3  1  0.0  0.23  0.42  1.0

data_TcPbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.46
_cell_length_c   5.47
_cell_angle_alpha   114.05
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPbW2
_chemical_formula_sum   'Tc1 Pb1 W2'
_cell_volume   68.88
_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
  Pb  Pb1  1  0.0  0.72  0.72  1.0
  W  W2  1  0.0  0.3  0.66  1.0
  W  W3  1  0.77  0.19  0.19  1.0

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