data_TaSiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53
_cell_length_b   7.53
_cell_length_c   3.94
_cell_angle_alpha   103.21
_cell_angle_beta   103.21
_cell_angle_gamma   25.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiPb2
_chemical_formula_sum   'Ta1 Si1 Pb2'
_cell_volume   93.81
_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  Ta3  1  0.89  0.0  0.91  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.83  0.0  0.19  1.0
  Pb  Pb1  1  0.94  0.0  0.64  1.0

data_TaSiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.94
_cell_length_c   7.53
_cell_angle_alpha   103.21
_cell_angle_beta   102.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiPb2
_chemical_formula_sum   'Ta1 Si1 Pb2'
_cell_volume   93.81
_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  Ta0  1  0.0  0.91  0.89  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.19  0.83  1.0
  Pb  Pb3  1  0.0  0.64  0.94  1.0

Ta Si Pb Pb
Ta Si Pb Pb 0 1 + o + 0 2 o o + 0 3 o o o 1 3 - o - 