data_Cu2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2RuPb
_chemical_formula_sum   'Cu2 Ru1 Pb1'
_cell_volume   64.06
_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
  Cu  Cu0  1  0.11  0.0  0.74  1.0
  Cu  Cu1  1  0.0  0.0  0.49  1.0
  Ru  Ru3  1  0.0  0.0  0.41  1.0
  Pb  Pb2  1  0.11  0.0  0.33  1.0

data_Cu2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2RuPb
_chemical_formula_sum   'Cu2 Ru1 Pb1'
_cell_volume   64.06
_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
  Cu  Cu0  1  0.0  0.0  0.49  1.0
  Cu  Cu1  1  0.11  0.0  0.74  1.0
  Ru  Ru2  1  0.0  0.0  0.41  1.0
  Pb  Pb3  1  0.11  0.0  0.33  1.0

Cu Cu Ru Pb
Cu Cu Ru Pb 0 1 o o o 1 2 o o o 2 3 o o o 