data_MgGaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   4.96
_cell_length_c   3.31
_cell_angle_alpha   71.26
_cell_angle_beta   69.89
_cell_angle_gamma   38.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaPt
_chemical_formula_sum   'Mg1 Ga1 Pt1'
_cell_volume   48.28
_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  Mg1  1  0.3  0.39  0.89  1.0
  Ga  Ga0  1  0.3  0.39  0.69  1.0
  Pt  Pt2  1  0.3  0.39  0.01  1.0

data_MgGaPt
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.31
_cell_length_b   8.79
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   MgGaPt
_chemical_formula_sum   'Mg2 Ga2 Pt2'
_cell_volume   96.64
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.0  0.72  1.0
  Ga  Ga1  2  0.0  0.0  0.92  1.0
  Pt  Pt2  2  0.0  0.0  0.6  1.0

Mg Ga Pt
Mg Ga Pt 0 2 o o + 0 1 o o o 