data_Co2PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   146.49
_cell_angle_beta   128.07
_cell_angle_gamma   63.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PPt
_chemical_formula_sum   'Co2 P1 Pt1'
_cell_volume   49.26
_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  0.0  0.13  0.42  1.0
  Co  Co1  1  0.4  0.0  0.72  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.14  1.0

data_Co2PPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.25
_cell_length_c   4.86
_cell_angle_alpha   115.97
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PPt
_chemical_formula_sum   'Co2 P1 Pt1'
_cell_volume   49.26
_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  0.58  0.71  0.71  1.0
  Co  Co1  1  0.68  0.28  0.68  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.86  0.86  0.86  1.0

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