data_Tc2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.13
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PbW
_chemical_formula_sum   'Tc2 Pb1 W1'
_cell_volume   70.02
_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  0.17  1.0
  Tc  Tc2  1  0.55  0.06  0.47  1.0
  Pb  Pb0  1  0.44  0.06  0.32  1.0
  W  W3  1  0.91  0.0  0.55  1.0

data_Tc2PbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.13
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PbW
_chemical_formula_sum   'Tc2 Pb1 W1'
_cell_volume   70.02
_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  0.17  1.0
  Tc  Tc1  1  0.55  0.06  0.47  1.0
  Pb  Pb2  1  0.44  0.06  0.32  1.0
  W  W3  1  0.91  0.0  0.55  1.0

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