data_TiZnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   135.35
_cell_angle_beta   134.02
_cell_angle_gamma   66.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnPt2
_chemical_formula_sum   'Ti1 Zn1 Pt2'
_cell_volume   60.78
_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  Ti2  1  0.0  0.0  0.15  1.0
  Zn  Zn3  1  0.0  0.94  0.08  1.0
  Pt  Pt0  1  0.0  0.0  0.31  1.0
  Pt  Pt1  1  0.88  0.0  0.09  1.0

data_TiZnPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.88
_cell_length_c   4.96
_cell_angle_alpha   112.99
_cell_angle_beta   112.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnPt2
_chemical_formula_sum   'Ti1 Zn1 Pt2'
_cell_volume   60.78
_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  0.85  0.85  0.85  1.0
  Zn  Zn1  1  0.92  0.86  0.86  1.0
  Pt  Pt2  1  0.69  0.69  0.69  1.0
  Pt  Pt3  1  0.79  0.91  0.79  1.0

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