data_CoPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.59
_cell_angle_alpha   113.84
_cell_angle_beta   113.84
_cell_angle_gamma   31.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPt
_chemical_formula_sum   'Co2 Pt2'
_cell_volume   54.4
_cell_formula_units_Z   2
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  0.54  0.0  0.36  1.0
  Co  Co1  1  0.15  0.0  0.81  1.0
  Pt  Pt2  1  0.57  0.0  0.24  1.0
  Pt  Pt3  1  0.13  0.0  0.93  1.0

data_CoPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.71
_cell_length_b   4.59
_cell_length_c   5.0
_cell_angle_alpha   113.84
_cell_angle_beta   105.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoPt
_chemical_formula_sum   'Co2 Pt2'
_cell_volume   54.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.27  0.2  1.0
  Pt  Pt1  2  0.0  0.15  0.22  1.0

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