data_CoNiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   30.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiPt2
_chemical_formula_sum   'Co1 Ni1 Pt2'
_cell_volume   54.41
_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  0.01  1.0
  Ni  Ni1  1  0.04  0.0  0.32  1.0
  Pt  Pt2  1  0.0  0.0  0.41  1.0
  Pt  Pt3  1  0.04  0.0  0.93  1.0

data_CoNiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.08
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiPt2
_chemical_formula_sum   'Co1 Ni1 Pt2'
_cell_volume   54.41
_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  0.99  0.0  0.99  1.0
  Ni  Ni1  1  0.68  0.04  0.68  1.0
  Pt  Pt2  1  0.07  0.04  0.07  1.0
  Pt  Pt3  1  0.59  0.0  0.59  1.0

Co Ni Pt Pt
Co Ni Pt Pt 0 3 o o - 1 2 o o o 