data_TaPbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   7.26
_cell_length_c   3.07
_cell_angle_alpha   82.78
_cell_angle_beta   73.34
_cell_angle_gamma   23.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPbW
_chemical_formula_sum   'Ta1 Pb1 W1'
_cell_volume   60.9
_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
  Ta  Ta1  1  0.67  0.57  0.61  1.0
  Pb  Pb0  1  0.67  0.57  0.11  1.0
  W  W2  1  0.67  0.57  0.55  1.0

data_TaPbW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.35
_cell_length_b   14.14
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   123.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaPbW
_chemical_formula_sum   'Ta2 Pb2 W2'
_cell_volume   121.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.17  0.5  0.29  1.0
  Pb  Pb1  2  0.17  0.5  0.78  1.0
  W  W2  2  0.17  0.5  0.23  1.0

Ta Pb W
Ta Pb W 0 2 o o o 0 1 o o + 0 1 o o o 1 2 o o - 1 2 o o o 