data_YTaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   142.94
_cell_angle_beta   142.94
_cell_angle_gamma   53.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaPb
_chemical_formula_sum   'Y1 Ta1 Pb1'
_cell_volume   72.8
_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
  Y  Y2  1  0.0  0.0  0.45  1.0
  Ta  Ta1  1  0.0  0.0  0.85  1.0
  Pb  Pb0  1  0.0  0.0  0.18  1.0

data_YTaPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   116.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTaPb
_chemical_formula_sum   'Y2 Ta2 Pb2'
_cell_volume   145.61
_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
  Y  Y0  2  0.0  0.0  0.55  1.0
  Ta  Ta1  2  0.0  0.0  0.15  1.0
  Pb  Pb2  2  0.0  0.0  0.82  1.0

Y Ta Pb
Y Ta Pb 0 2 o o o 1 2 o o + 