data_MgTiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.22
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiPt2
_chemical_formula_sum   'Mg1 Ti1 Pt2'
_cell_volume   65.06
_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
  Mg  Mg0  1  0.0  0.0  0.28  1.0
  Ti  Ti3  1  0.42  0.11  0.54  1.0
  Pt  Pt1  1  0.42  0.11  0.18  1.0
  Pt  Pt2  1  0.0  0.0  0.58  1.0

data_MgTiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.22
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiPt2
_chemical_formula_sum   'Mg1 Ti1 Pt2'
_cell_volume   65.06
_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
  Mg  Mg0  1  0.0  0.0  0.28  1.0
  Ti  Ti1  1  0.42  0.11  0.54  1.0
  Pt  Pt2  1  0.0  0.0  0.58  1.0
  Pt  Pt3  1  0.42  0.11  0.18  1.0

Mg Ti Pt Pt
Mg Ti Pt Pt 0 2 o o o 0 3 o o o 1 3 o o o 