data_MgTi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   4.03
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2Pt
_chemical_formula_sum   'Mg1 Ti2 Pt1'
_cell_volume   65.86
_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  0.0  1.0
  Ti  Ti2  1  0.94  0.0  0.11  1.0
  Ti  Ti3  1  0.0  0.01  0.11  1.0
  Pt  Pt1  1  0.94  0.01  0.0  1.0

data_MgTi2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.03
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2Pt
_chemical_formula_sum   'Mg1 Ti2 Pt1'
_cell_volume   65.86
_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  0.0  1.0
  Ti  Ti1  1  -0.0  0.01  0.11  1.0
  Ti  Ti2  1  0.94  0.0  0.11  1.0
  Pt  Pt3  1  0.94  0.01  0.0  1.0

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