data_ZrTi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2Pt
_chemical_formula_sum   'Zr1 Ti2 Pt1'
_cell_volume   71.12
_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  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.6  0.6  0.99  1.0
  Ti  Ti2  1  0.6  0.6  0.91  1.0
  Pt  Pt0  1  0.0  0.0  0.45  1.0

data_ZrTi2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrTi2Pt
_chemical_formula_sum   'Zr2 Ti4 Pt2'
_cell_volume   142.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ti  Ti1  2  0.1  0.5  0.91  1.0
  Ti  Ti2  2  0.1  0.5  0.99  1.0
  Pt  Pt3  2  0.0  0.0  0.45  1.0

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