data_MgPtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPtAu
_chemical_formula_sum   'Mg1 Pt1 Au1'
_cell_volume   50.79
_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  0.0  0.0  0.97  1.0
  Pt  Pt2  1  0.0  0.59  0.85  1.0
  Au  Au0  1  0.24  0.29  0.1  1.0

data_MgPtAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPtAu
_chemical_formula_sum   'Mg1 Pt1 Au1'
_cell_volume   50.79
_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  0.97  0.0  0.0  1.0
  Pt  Pt1  1  0.85  0.0  0.59  1.0
  Au  Au2  1  0.1  0.24  0.29  1.0

Mg Pt Au
Mg Pt Au 0 2 o o + 0 1 o - o 1 2 o o + 