data_YCuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   8.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuPb2
_chemical_formula_sum   'Y1 Cu1 Pb2'
_cell_volume   103.81
_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
  Y  Y3  1  0.45  0.0  0.71  1.0
  Cu  Cu0  1  0.0  0.0  0.13  1.0
  Pb  Pb1  1  0.45  0.0  0.34  1.0
  Pb  Pb2  1  0.0  0.0  0.06  1.0

data_YCuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   8.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuPb2
_chemical_formula_sum   'Y1 Cu1 Pb2'
_cell_volume   103.81
_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
  Y  Y0  1  0.45  0.0  0.71  1.0
  Cu  Cu1  1  0.0  0.0  0.13  1.0
  Pb  Pb2  1  0.0  0.0  0.06  1.0
  Pb  Pb3  1  0.45  0.0  0.34  1.0

Y Cu Pb Pb