data_CrPPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   147.52
_cell_angle_beta   147.52
_cell_angle_gamma   46.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPPt
_chemical_formula_sum   'Cr1 P1 Pt1'
_cell_volume   39.6
_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
  Cr  Cr0  1  0.0  0.0  0.22  1.0
  P  P1  1  0.0  0.0  0.39  1.0
  Pt  Pt2  1  0.0  0.0  0.36  1.0

data_CrPPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   113.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrPPt
_chemical_formula_sum   'Cr2 P2 Pt2'
_cell_volume   79.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cr  Cr0  2  0.0  0.0  0.78  1.0
  P  P1  2  0.0  0.0  0.61  1.0
  Pt  Pt2  2  0.0  0.0  0.64  1.0

Cr P Pt
Cr P Pt 0 2 o o o 0 1 o o o 1 2 o o o 