data_ZrTi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.47
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   103.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2Pt
_chemical_formula_sum   'Zr1 Ti2 Pt1'
_cell_volume   70.11
_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
  Zr  Zr3  1  0.8  0.0  0.72  1.0
  Ti  Ti1  1  0.05  0.0  0.05  1.0
  Ti  Ti2  1  0.89  0.24  0.2  1.0
  Pt  Pt0  1  0.69  0.24  0.07  1.0

data_ZrTi2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.47
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   103.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2Pt
_chemical_formula_sum   'Zr1 Ti2 Pt1'
_cell_volume   70.11
_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
  Zr  Zr0  1  0.8  0.0  0.72  1.0
  Ti  Ti1  1  0.05  0.0  0.05  1.0
  Ti  Ti2  1  0.89  0.24  0.2  1.0
  Pt  Pt3  1  0.69  0.24  0.07  1.0

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