data_TaMoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49
_cell_length_b   7.22
_cell_length_c   3.09
_cell_angle_alpha   82.77
_cell_angle_beta   73.08
_cell_angle_gamma   24.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoPb
_chemical_formula_sum   'Ta1 Mo1 Pb1'
_cell_volume   61.09
_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  Ta2  1  0.68  0.6  0.89  1.0
  Mo  Mo0  1  0.68  0.6  0.89  1.0
  Pb  Pb1  1  0.68  0.6  0.33  1.0

data_TaMoPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.35
_cell_length_b   14.05
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   122.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaMoPb
_chemical_formula_sum   'Ta2 Mo2 Pb2'
_cell_volume   122.18
_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  0.18  0.5  0.56  1.0
  Mo  Mo1  2  0.18  0.5  0.56  1.0
  Pb  Pb2  2  0.18  0.5  0.0  1.0

Ta Mo Pb 0 1 o o o 0 2 o o + 1 2 o o + 