data_TiCoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   132.73
_cell_angle_beta   132.73
_cell_angle_gamma   69.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoPt2
_chemical_formula_sum   'Ti1 Co1 Pt2'
_cell_volume   57.71
_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  0.0  0.91  0.97  1.0
  Pt  Pt1  1  0.0  0.0  0.93  1.0
  Pt  Pt2  1  0.91  0.0  0.97  1.0

data_TiCoPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.78
_cell_angle_alpha   113.64
_cell_angle_beta   113.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoPt2
_chemical_formula_sum   'Ti1 Co1 Pt2'
_cell_volume   57.71
_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  0.05  0.97  0.05  1.0
  Pt  Pt2  1  0.93  0.93  0.93  1.0
  Pt  Pt3  1  0.97  0.05  0.05  1.0

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