data_TaAgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   7.2
_cell_angle_alpha   155.55
_cell_angle_beta   155.55
_cell_angle_gamma   34.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAgPb
_chemical_formula_sum   'Ta1 Ag1 Pb1'
_cell_volume   63.94
_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  0.0  0.0  0.06  1.0
  Ag  Ag0  1  0.0  0.0  0.17  1.0
  Pb  Pb1  1  0.0  0.0  0.52  1.0

data_TaAgPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaAgPb
_chemical_formula_sum   'Ta2 Ag2 Pb2'
_cell_volume   127.87
_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  0.06  0.0  0.06  1.0
  Ag  Ag1  2  0.17  0.0  0.17  1.0
  Pb  Pb2  2  0.02  0.5  0.52  1.0

Ta Ag Pb
Ta Ag Pb 0 1 o o o 0 2 o o o 1 2 o o o 2 2 + o + 2 2 o + + 