data_TiCu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   3.8
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   92.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2Pt
_chemical_formula_sum   'Ti1 Cu2 Pt1'
_cell_volume   55.17
_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  0.24  0.0  0.99  1.0
  Cu  Cu0  1  0.03  0.9  0.09  1.0
  Cu  Cu1  1  0.26  0.0  0.25  1.0
  Pt  Pt2  1  0.62  0.9  0.69  1.0

data_TiCu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   3.8
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   92.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2Pt
_chemical_formula_sum   'Ti1 Cu2 Pt1'
_cell_volume   55.17
_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  0.24  0.0  0.99  1.0
  Cu  Cu1  1  0.03  0.9  0.09  1.0
  Cu  Cu2  1  0.26  0.0  0.25  1.0
  Pt  Pt3  1  0.62  0.9  0.69  1.0

Ti Cu Cu Pt
Ti Cu Cu Pt 0 1 o - + 0 3 o - o 0 3 - - o 1 2 o + o 1 3 - o - 2 3 o - o 