data_MgPtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   144.69
_cell_angle_beta   144.69
_cell_angle_gamma   50.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPtAu
_chemical_formula_sum   'Mg1 Pt1 Au1'
_cell_volume   50.76
_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  0.17  1.0
  Pt  Pt2  1  0.0  0.0  0.55  1.0
  Au  Au0  1  0.0  0.0  0.6  1.0

data_MgPtAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   115.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgPtAu
_chemical_formula_sum   'Mg2 Pt2 Au2'
_cell_volume   101.53
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.17  0.0  0.17  1.0
  Pt  Pt1  2  0.05  0.5  0.55  1.0
  Au  Au2  2  0.1  0.5  0.6  1.0

Mg Pt Au
Mg Pt Au 0 2 o o o 0 1 o o o 1 2 o o o 