data_Mo2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   131.55
_cell_angle_beta   130.7
_cell_angle_gamma   71.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PtAu
_chemical_formula_sum   'Mo2 Pt1 Au1'
_cell_volume   64.6
_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
  Mo  Mo1  1  0.0  0.0  0.04  1.0
  Mo  Mo2  1  0.0  0.0  0.93  1.0
  Pt  Pt3  1  0.0  0.0  0.96  1.0
  Au  Au0  1  0.0  0.04  0.99  1.0

data_Mo2PtAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.07
_cell_length_c   4.88
_cell_angle_alpha   114.65
_cell_angle_beta   114.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PtAu
_chemical_formula_sum   'Mo2 Pt1 Au1'
_cell_volume   64.6
_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
  Mo  Mo0  1  0.0  0.04  0.04  1.0
  Mo  Mo1  1  0.0  0.93  0.93  1.0
  Pt  Pt2  1  0.0  0.96  0.96  1.0
  Au  Au3  1  0.96  0.95  0.95  1.0

Mo Mo Pt Au
Mo Mo Pt Au 0 3 o o - 0 2 o o - 1 2 o o o 2 3 o o o 