data_CoPt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.01
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPt2Pb
_chemical_formula_sum   'Co1 Pt2 Pb1'
_cell_volume   69.87
_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  Pt2  1  0.51  0.0  0.47  1.0
  Pt  Pt3  1  0.51  0.0  0.32  1.0
  Pb  Pb1  1  0.0  0.0  0.9  1.0

data_CoPt2Pb
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.01
_cell_length_b   4.01
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   CoPt2Pb
_chemical_formula_sum   'Co1 Pt2 Pb1'
_cell_volume   69.87
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.5  0.0  0.32  1.0
  Pt  Pt2  1  0.5  0.0  0.47  1.0
  Pb  Pb3  1  0.0  0.0  0.9  1.0

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