data_Ta2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   134.67
_cell_angle_beta   134.67
_cell_angle_gamma   66.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RuPb
_chemical_formula_sum   'Ta2 Ru1 Pb1'
_cell_volume   72.64
_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  0.03  0.0  0.21  1.0
  Ta  Ta3  1  0.0  0.03  0.21  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.41  1.0

data_Ta2RuPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   123.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2RuPb
_chemical_formula_sum   'Ta4 Ru2 Pb2'
_cell_volume   145.27
_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  4  0.49  0.49  0.18  1.0
  Ru  Ru1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.0  0.0  0.41  1.0

Ta Ta Ru Pb