data_Co2PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   4.64
_cell_angle_alpha   90.93
_cell_angle_beta   90.93
_cell_angle_gamma   38.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PPt
_chemical_formula_sum   'Co2 P1 Pt1'
_cell_volume   52.32
_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  0.96  0.0  0.17  1.0
  Co  Co1  1  0.15  0.0  0.35  1.0
  P  P2  1  0.34  0.0  0.77  1.0
  Pt  Pt3  1  0.67  0.0  0.65  1.0

data_Co2PPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.28
_cell_length_c   4.64
_cell_angle_alpha   90.93
_cell_angle_beta   90.0
_cell_angle_gamma   109.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PPt
_chemical_formula_sum   'Co2 P1 Pt1'
_cell_volume   52.32
_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  0.04  0.83  1.0
  Co  Co1  1  0.0  0.85  0.65  1.0
  P  P2  1  0.0  0.66  0.23  1.0
  Pt  Pt3  1  0.0  0.33  0.35  1.0

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