data_MgTi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.28
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   103.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2Pt
_chemical_formula_sum   'Mg1 Ti2 Pt1'
_cell_volume   67.19
_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  0.5  0.0  0.78  1.0
  Ti  Ti2  1  0.34  0.0  0.41  1.0
  Ti  Ti3  1  0.1  0.14  0.34  1.0
  Pt  Pt1  1  0.44  0.14  0.15  1.0

data_MgTi2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.28
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   103.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2Pt
_chemical_formula_sum   'Mg1 Ti2 Pt1'
_cell_volume   67.19
_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  0.5  0.0  0.78  1.0
  Ti  Ti1  1  0.1  0.14  0.34  1.0
  Ti  Ti2  1  0.34  0.0  0.41  1.0
  Pt  Pt3  1  0.44  0.14  0.15  1.0

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