data_Co2PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   29.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PPt
_chemical_formula_sum   'Co2 P1 Pt1'
_cell_volume   49.7
_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  0.83  1.0
  Co  Co1  1  0.75  0.0  0.02  1.0
  P  P2  1  0.0  0.0  0.65  1.0
  Pt  Pt3  1  0.75  0.0  0.29  1.0

data_Co2PPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.5
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   104.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PPt
_chemical_formula_sum   'Co2 P1 Pt1'
_cell_volume   49.7
_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  0.17  0.0  0.17  1.0
  Co  Co1  1  0.98  0.75  0.98  1.0
  P  P2  1  0.35  0.0  0.35  1.0
  Pt  Pt3  1  0.71  0.75  0.71  1.0

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