data_MgMoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoAu2
_chemical_formula_sum   'Mg1 Mo1 Au2'
_cell_volume   68.89
_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  Mg2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.04  0.0  0.0  1.0
  Au  Au0  1  0.52  0.97  0.39  1.0
  Au  Au1  1  0.52  0.03  0.39  1.0

data_MgMoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   106.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoAu2
_chemical_formula_sum   'Mg1 Mo1 Au2'
_cell_volume   68.89
_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  0.0  1.0
  Mo  Mo1  1  0.0  0.04  0.0  1.0
  Au  Au2  1  0.39  0.52  0.03  1.0
  Au  Au3  1  0.39  0.52  0.97  1.0

Mg Mo Au Au