data_MgTiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   146.21
_cell_angle_beta   131.1
_cell_angle_gamma   60.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiPt
_chemical_formula_sum   'Mg1 Ti1 Pt1'
_cell_volume   49.07
_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  0.05  1.0
  Ti  Ti2  1  0.0  0.0  0.77  1.0
  Pt  Pt1  1  0.0  0.0  0.64  1.0

data_MgTiPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.06
_cell_length_c   4.91
_cell_angle_alpha   114.45
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiPt
_chemical_formula_sum   'Mg1 Ti1 Pt1'
_cell_volume   49.07
_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  0.05  0.05  1.0
  Ti  Ti1  1  0.0  0.77  0.77  1.0
  Pt  Pt2  1  0.0  0.64  0.64  1.0

Mg Ti Pt