data_CrPPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   28.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPPt2
_chemical_formula_sum   'Cr1 P1 Pt2'
_cell_volume   57.14
_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  0.77  0.0  0.98  1.0
  P  P1  1  0.0  0.0  0.47  1.0
  Pt  Pt2  1  0.77  0.0  0.05  1.0
  Pt  Pt3  1  0.0  0.0  0.08  1.0

data_CrPPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.55
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   104.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPPt2
_chemical_formula_sum   'Cr1 P1 Pt2'
_cell_volume   57.14
_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  0.02  0.77  0.02  1.0
  P  P1  1  0.53  0.0  0.53  1.0
  Pt  Pt2  1  0.92  0.0  0.92  1.0
  Pt  Pt3  1  0.95  0.77  0.95  1.0

Cr P Pt Pt