data_CoPPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   27.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPPt2
_chemical_formula_sum   'Co1 P1 Pt2'
_cell_volume   55.26
_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  0.66  0.0  0.09  1.0
  P  P1  1  0.0  0.0  0.64  1.0
  Pt  Pt2  1  0.66  0.0  0.32  1.0
  Pt  Pt3  1  0.0  0.0  0.28  1.0

data_CoPPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.33
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   103.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPPt2
_chemical_formula_sum   'Co1 P1 Pt2'
_cell_volume   55.26
_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  0.91  0.66  0.91  1.0
  P  P1  1  0.36  0.0  0.36  1.0
  Pt  Pt2  1  0.68  0.66  0.68  1.0
  Pt  Pt3  1  0.72  0.0  0.72  1.0

Co P Pt Pt
Co P Pt Pt 0 3 + o o 0 2 o o o 1 2 - o o 1 3 o o o 2 3 + o o 