data_CoPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   138.25
_cell_angle_beta   138.25
_cell_angle_gamma   60.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPtPb2
_chemical_formula_sum   'Co1 Pt1 Pb2'
_cell_volume   80.17
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.02  0.45  1.0
  Pb  Pb1  1  0.02  0.0  0.45  1.0
  Pb  Pb2  1  0.0  0.0  0.9  1.0

data_CoPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.67
_cell_angle_alpha   110.88
_cell_angle_beta   110.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPtPb2
_chemical_formula_sum   'Co1 Pt1 Pb2'
_cell_volume   80.17
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.57  0.02  0.57  1.0
  Pb  Pb2  1  0.1  0.0  0.1  1.0
  Pb  Pb3  1  0.55  0.0  0.57  1.0

Co Pt Pb Pb
Co Pt Pb Pb 0 3 o o - 1 2 o o o 