data_TiCo2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   3.58
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   91.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCo2Pt
_chemical_formula_sum   'Ti1 Co2 Pt1'
_cell_volume   53.19
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.35  0.79  0.28  1.0
  Co  Co1  1  0.33  0.79  0.08  1.0
  Pt  Pt2  1  0.95  0.0  0.68  1.0

data_TiCo2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.58
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   91.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCo2Pt
_chemical_formula_sum   'Ti1 Co2 Pt1'
_cell_volume   53.19
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.33  0.79  0.08  1.0
  Co  Co2  1  0.35  0.79  0.28  1.0
  Pt  Pt3  1  0.95  0.0  0.68  1.0

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