data_TaRuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   151.07
_cell_angle_beta   151.07
_cell_angle_gamma   41.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRuPb
_chemical_formula_sum   'Ta1 Ru1 Pb1'
_cell_volume   58.74
_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  0.19  1.0
  Ru  Ru1  1  0.0  0.0  0.68  1.0
  Pb  Pb0  1  0.0  0.0  0.75  1.0

data_TaRuPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   110.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaRuPb
_chemical_formula_sum   'Ta2 Ru2 Pb2'
_cell_volume   117.47
_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  0.19  0.0  0.19  1.0
  Ru  Ru1  2  0.18  0.5  0.68  1.0
  Pb  Pb2  2  0.25  0.5  0.75  1.0

Ta Ru Pb