data_TiZn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.86
_cell_angle_alpha   98.59
_cell_angle_beta   98.59
_cell_angle_gamma   34.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Pt
_chemical_formula_sum   'Ti1 Zn2 Pt1'
_cell_volume   60.81
_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  Ti1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.66  0.0  0.56  1.0
  Zn  Zn3  1  0.59  0.0  0.24  1.0
  Pt  Pt0  1  0.12  0.0  0.4  1.0

data_TiZn2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.72
_cell_length_c   4.86
_cell_angle_alpha   98.59
_cell_angle_beta   90.0
_cell_angle_gamma   107.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Pt
_chemical_formula_sum   'Ti1 Zn2 Pt1'
_cell_volume   60.81
_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
  Zn  Zn1  1  0.0  0.34  0.44  1.0
  Zn  Zn2  1  0.0  0.41  0.76  1.0
  Pt  Pt3  1  0.0  0.88  0.6  1.0

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